bis(1-benzofuran-3-yl)-(1,1-difluoroethyl)phosphane;bis(1-benzothiophen-3-yl)-(1,1-difluoroethyl)phosphane;1,1-difluoroethyl-bis(furan-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylindol-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylpyrrol-3-yl)phosphane;1,1-difluoroethyl-di(thiophen-3-yl)phosphane

C88H78F12N4O4P6S4 — CID 167631421

IUPACbis(1-benzofuran-3-yl)-(1,1-difluoroethyl)phosphane;bis(1-benzothiophen-3-yl)-(1,1-difluoroethyl)phosphane;1,1-difluoroethyl-bis(furan-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylindol-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylpyrrol-3-yl)phosphane;1,1-difluoroethyl-di(thiophen-3-yl)phosphane
SMILESCC(F)(F)P(c1ccoc1)c1ccoc1.CC(F)(F)P(c1ccsc1)c1ccsc1.CC(F)(F)P(c1coc2ccccc12)c1coc2ccccc12.CC(F)(F)P(c1csc2ccccc12)c1csc2ccccc12.Cn1cc(P(c2cn(C)c3ccccc23)C(C)(F)F)c2ccccc21.Cn1ccc(P(c2ccn(C)c2)C(C)(F)F)c1
InChIInChI=1S/C20H19F2N2P.C18H13F2O2P.C18H13F2PS2.C12H15F2N2P.C10H9F2O2P.C10H9F2PS2/c1-20(21,22)25(18-12-23(2)16-10-6-4-8-14(16)18)19-13-24(3)17-11-7-5-9-15(17)19;1-18(19,20)23(16-10-21-14-8-4-2-6-12(14)16)17-11-22-15-9-5-3-7-13(15)17;1-18(19,20)21(14-10-22-16-8-4-2-6-12(14)16)15-11-23-17-9-5-3-7-13(15)17;1-12(13,14)17(10-4-6-15(2)8-10)11-5-7-16(3)9-11;1-10(11,12)15(8-2-4-13-6-8)9-3-5-14-7-9;1-10(11,12)13(8-2-4-14-6-8)9-3-5-15-7-9/h4-13H,1-3H3;2*2-11H,1H3;4-9H,1-3H3;2*2-7H,1H3
InChIKeyNVZATTRCRARDRB-UHFFFAOYSA-N
MW1797.70 g/mol
LogP25.28
Rot. Bonds18

About bis(1-benzofuran-3-yl)-(1,1-difluoroethyl)phosphane;bis(1-benzothiophen-3-yl)-(1,1-difluoroethyl)phosphane;1,1-difluoroethyl-bis(furan-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylindol-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylpyrrol-3-yl)phosphane;1,1-difluoroethyl-di(thiophen-3-yl)phosphane

bis(1-benzofuran-3-yl)-(1,1-difluoroethyl)phosphane;bis(1-benzothiophen-3-yl)-(1,1-difluoroethyl)phosphane;1,1-difluoroethyl-bis(furan-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylindol-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylpyrrol-3-yl)phosphane;1,1-difluoroethyl-di(thiophen-3-yl)phosphane (PubChem CID 167631421) has the molecular formula C88H78F12N4O4P6S4 and a molecular weight of 1797.70 g/mol. Its IUPAC name is bis(1-benzofuran-3-yl)-(1,1-difluoroethyl)phosphane;bis(1-benzothiophen-3-yl)-(1,1-difluoroethyl)phosphane;1,1-difluoroethyl-bis(furan-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylindol-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylpyrrol-3-yl)phosphane;1,1-difluoroethyl-di(thiophen-3-yl)phosphane.

Molecular Properties

Compound Namebis(1-benzofuran-3-yl)-(1,1-difluoroethyl)phosphane;bis(1-benzothiophen-3-yl)-(1,1-difluoroethyl)phosphane;1,1-difluoroethyl-bis(furan-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylindol-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylpyrrol-3-yl)phosphane;1,1-difluoroethyl-di(thiophen-3-yl)phosphane
PubChem CID167631421
Molecular FormulaC88H78F12N4O4P6S4
Molecular Weight1797.70 g/mol
Exact Mass1796.31
IUPAC Namebis(1-benzofuran-3-yl)-(1,1-difluoroethyl)phosphane;bis(1-benzothiophen-3-yl)-(1,1-difluoroethyl)phosphane;1,1-difluoroethyl-bis(furan-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylindol-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylpyrrol-3-yl)phosphane;1,1-difluoroethyl-di(thiophen-3-yl)phosphane
SMILESCC(F)(F)P(c1ccoc1)c1ccoc1.CC(F)(F)P(c1ccsc1)c1ccsc1.CC(F)(F)P(c1coc2ccccc12)c1coc2ccccc12.CC(F)(F)P(c1csc2ccccc12)c1csc2ccccc12.Cn1cc(P(c2cn(C)c3ccccc23)C(C)(F)F)c2ccccc21.Cn1ccc(P(c2ccn(C)c2)C(C)(F)F)c1
InChIInChI=1S/C20H19F2N2P.C18H13F2O2P.C18H13F2PS2.C12H15F2N2P.C10H9F2O2P.C10H9F2PS2/c1-20(21,22)25(18-12-23(2)16-10-6-4-8-14(16)18)19-13-24(3)17-11-7-5-9-15(17)19;1-18(19,20)23(16-10-21-14-8-4-2-6-12(14)16)17-11-22-15-9-5-3-7-13(15)17;1-18(19,20)21(14-10-22-16-8-4-2-6-12(14)16)15-11-23-17-9-5-3-7-13(15)17;1-12(13,14)17(10-4-6-15(2)8-10)11-5-7-16(3)9-11;1-10(11,12)15(8-2-4-13-6-8)9-3-5-14-7-9;1-10(11,12)13(8-2-4-14-6-8)9-3-5-15-7-9/h4-13H,1-3H3;2*2-11H,1H3;4-9H,1-3H3;2*2-7H,1H3
InChIKeyNVZATTRCRARDRB-UHFFFAOYSA-N
XLogP25.28
TPSA72.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001797.70
LogP ≤ 525.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis(1-benzofuran-3-yl)-(1,1-difluoroethyl)phosphane;bis(1-benzothiophen-3-yl)-(1,1-difluoroethyl)phosphane;1,1-difluoroethyl-bis(furan-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylindol-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylpyrrol-3-yl)phosphane;1,1-difluoroethyl-di(thiophen-3-yl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[7-[Bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]dibenzofuran-3-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[7-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-9-phenylcarbazol-2-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[6-[5-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-2-pyridinyl]-3-pyridinyl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;methylidene-[7-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]dibenzothiophen-3-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane;methylidene-[7-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]-9-phenylcarbazol-2-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane
CID 157655597
[2-[3-[2,2-Bis(trimethylsilyl)ethyl]-2-tert-butylphenyl]-1-trimethylsilylethyl]-trimethylsilane;bis(1-tert-butylcyclopenta-1,3-diene);[2-[2-tert-butyl-3-[1,1-dideuterio-2,2-bis(trimethylsilyl)ethyl]phenyl]-2,2-dideuterio-1-trimethylsilylethyl]-trimethylsilane;tetrakis(2-tert-butyl-1,3-dimethylbenzene);3-tert-butylfuran;tetrakis(1-tert-butyl-2-methylbenzene);[2-(2-tert-butyl-3-methylphenyl)-2,2-dideuterio-1-trimethylsilylethyl]-trimethylsilane;[2-(2-tert-butyl-3-methylphenyl)-1-trimethylsilylethyl]-trimethylsilane;2-tert-butyl-1-methyl-3-(trifluoromethyl)benzene;1-tert-butyl-9-phenylcarbazole;9-(2-tert-butylphenyl)carbazole;4-tert-butyl-6-phenyldibenzofuran;(2-tert-butylphenyl)-trimethylsilane;3-tert-butylthiophene;1-tert-butyl-2-(trifluoromethyl)benzene;(2-tert-butyl-3-trimethylsilylphenyl)-trimethylsilane;1,2,3,5-tetradeuterio-4-(2,3-ditert-butylphenyl)-6-methylbenzene
CID 157837483
1-(1-benzothiophen-3-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-3-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(2,5-dimethylfuran-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 158307601
cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 158835435
3,7-Bis[bis(4-fluorophenyl)phosphoryl]dibenzofuran;2,7-bis[bis(4-fluorophenyl)phosphoryl]-9-phenylcarbazole;5-bis(4-methylphenyl)phosphoryl-2-[5-bis[4-(trifluoromethyl)phenyl]phosphoryl-2-pyridinyl]pyridine;2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzofuran;2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzothiophene
CID 159199834
9-Bis(4-fluorophenyl)phosphoryl-14-phenylbenzo[b]triphenylene;9-bis[4-(trifluoromethyl)phenyl]phosphoryl-14-phenylbenzo[b]triphenylene;2-[dibenzofuran-2-yl-(14-phenylbenzo[b]triphenylen-9-yl)phosphoryl]dibenzofuran;2-[dibenzothiophen-2-yl-(14-phenylbenzo[b]triphenylen-9-yl)phosphoryl]dibenzothiophene;diphenyl-(14-phenylbenzo[b]triphenylen-9-yl)-selanylidene-lambda5-phosphane;diphenyl-(14-phenylbenzo[b]triphenylen-9-yl)-sulfanylidene-lambda5-phosphane;1-(4-diphenylphosphorylphenyl)triphenylene;2-(4-diphenylphosphorylphenyl)triphenylene;9-phenyl-3-[(14-phenylbenzo[b]triphenylen-9-yl)-(9-phenylcarbazol-3-yl)phosphoryl]carbazole
CID 159931758
1-(1-benzothiophen-3-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-3-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-3-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-(2,5-dimethylfuran-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 159986129
2-[Benzo[b]triphenylen-9-yl(dibenzofuran-2-yl)phosphoryl]dibenzofuran;2-[benzo[b]triphenylen-9-yl(dibenzothiophen-2-yl)phosphoryl]dibenzothiophene;benzo[b]triphenylen-9-yl-diphenyl-selanylidene-lambda5-phosphane;benzo[b]triphenylen-9-yl-diphenyl-sulfanylidene-lambda5-phosphane;3-[benzo[b]triphenylen-9-yl-(9-phenylcarbazol-3-yl)phosphoryl]-9-phenylcarbazole;9-bis(4-fluorophenyl)phosphorylbenzo[b]triphenylene;9-bis(4-phenylphenyl)phosphoryl-14-phenylbenzo[b]triphenylene;9-bis[4-(trifluoromethyl)phenyl]phosphorylbenzo[b]triphenylene;9-diphenylphosphoryl-14-phenylbenzo[b]triphenylene
CID 160241985
2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;trihydrochloride
CID 160348180
(9-Ethylcarbazol-3-yl)-(2-fluorophenyl)methanone;(9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(3-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-thiophen-2-ylmethanone;(9-ethylcarbazol-3-yl)-[2-(2,2,3-trifluorobutoxy)phenyl]methanone
CID 165010789
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1H-indole;2H-isoindole
CID 69494068
5-[8-(1-Benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran
CID 123292338

Frequently Asked Questions

What is the IUPAC name of bis(1-benzofuran-3-yl)-(1,1-difluoroethyl)phosphane;bis(1-benzothiophen-3-yl)-(1,1-difluoroethyl)phosphane;1,1-difluoroethyl-bis(furan-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylindol-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylpyrrol-3-yl)phosphane;1,1-difluoroethyl-di(thiophen-3-yl)phosphane?
The IUPAC name of bis(1-benzofuran-3-yl)-(1,1-difluoroethyl)phosphane;bis(1-benzothiophen-3-yl)-(1,1-difluoroethyl)phosphane;1,1-difluoroethyl-bis(furan-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylindol-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylpyrrol-3-yl)phosphane;1,1-difluoroethyl-di(thiophen-3-yl)phosphane (CID 167631421) is bis(1-benzofuran-3-yl)-(1,1-difluoroethyl)phosphane;bis(1-benzothiophen-3-yl)-(1,1-difluoroethyl)phosphane;1,1-difluoroethyl-bis(furan-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylindol-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylpyrrol-3-yl)phosphane;1,1-difluoroethyl-di(thiophen-3-yl)phosphane.
What is the SMILES notation for bis(1-benzofuran-3-yl)-(1,1-difluoroethyl)phosphane;bis(1-benzothiophen-3-yl)-(1,1-difluoroethyl)phosphane;1,1-difluoroethyl-bis(furan-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylindol-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylpyrrol-3-yl)phosphane;1,1-difluoroethyl-di(thiophen-3-yl)phosphane?
The canonical SMILES for bis(1-benzofuran-3-yl)-(1,1-difluoroethyl)phosphane;bis(1-benzothiophen-3-yl)-(1,1-difluoroethyl)phosphane;1,1-difluoroethyl-bis(furan-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylindol-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylpyrrol-3-yl)phosphane;1,1-difluoroethyl-di(thiophen-3-yl)phosphane is CC(F)(F)P(c1ccoc1)c1ccoc1.CC(F)(F)P(c1ccsc1)c1ccsc1.CC(F)(F)P(c1coc2ccccc12)c1coc2ccccc12.CC(F)(F)P(c1csc2ccccc12)c1csc2ccccc12.Cn1cc(P(c2cn(C)c3ccccc23)C(C)(F)F)c2ccccc21.Cn1ccc(P(c2ccn(C)c2)C(C)(F)F)c1.
What is the InChIKey of bis(1-benzofuran-3-yl)-(1,1-difluoroethyl)phosphane;bis(1-benzothiophen-3-yl)-(1,1-difluoroethyl)phosphane;1,1-difluoroethyl-bis(furan-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylindol-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylpyrrol-3-yl)phosphane;1,1-difluoroethyl-di(thiophen-3-yl)phosphane?
The InChIKey is NVZATTRCRARDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N2P.C18H13F2O2P.C18H13F2PS2.C12H15F2N2P.C10H9F2O2P.C10H9F2PS2/c1-20(21,22)25(18-12-23(2)16-10-6-4-8-14(16)18)19-13-24(3)17-11-7-5-9-15(17)19;1-18(19,20)23(16-10-21-14-8-4-2-6-12(14)16)17-11-22-15-9-5-3-7-13(15)17;1-18(19,20)21(14-10-22-16-8-4-2-6-12(14)16)15-11-23-17-9-5-3-7-13(15)17;1-12(13,14)17(10-4-6-15(2)8-10)11-5-7-16(3)9-11;1-10(11,12)15(8-2-4-13-6-8)9-3-5-14-7-9;1-10(11,12)13(8-2-4-14-6-8)9-3-5-15-7-9/h4-13H,1-3H3;2*2-11H,1H3;4-9H,1-3H3;2*2-7H,1H3.
What are the key properties of bis(1-benzofuran-3-yl)-(1,1-difluoroethyl)phosphane;bis(1-benzothiophen-3-yl)-(1,1-difluoroethyl)phosphane;1,1-difluoroethyl-bis(furan-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylindol-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylpyrrol-3-yl)phosphane;1,1-difluoroethyl-di(thiophen-3-yl)phosphane?
bis(1-benzofuran-3-yl)-(1,1-difluoroethyl)phosphane;bis(1-benzothiophen-3-yl)-(1,1-difluoroethyl)phosphane;1,1-difluoroethyl-bis(furan-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylindol-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylpyrrol-3-yl)phosphane;1,1-difluoroethyl-di(thiophen-3-yl)phosphane has a molecular weight of 1797.70 g/mol, XLogP of 25.28, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-benzofuran-3-yl)-(1,1-difluoroethyl)phosphane;bis(1-benzothiophen-3-yl)-(1,1-difluoroethyl)phosphane;1,1-difluoroethyl-bis(furan-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylindol-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylpyrrol-3-yl)phosphane;1,1-difluoroethyl-di(thiophen-3-yl)phosphane is sourced from PubChem (CID 167631421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).