[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]-[2-[2-[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]phosphanyl-4-methoxy-6-methylphenyl]-5-methoxy-3-methylphenyl]phosphane

C32H26F10O2P2 — CID 162286018

IUPAC[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]-[2-[2-[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]phosphanyl-4-methoxy-6-methylphenyl]-5-methoxy-3-methylphenyl]phosphane
SMILESCOc1cc(C)c(-c2c(C)cc(OC)cc2Pc2cc(C(F)F)cc(C(F)(F)F)c2)c(Pc2cc(C(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C32H26F10O2P2/c1-15-5-21(43-3)13-25(45-23-9-17(29(33)34)7-19(11-23)31(37,38)39)27(15)28-16(2)6-22(44-4)14-26(28)46-24-10-18(30(35)36)8-20(12-24)32(40,41)42/h5-14,29-30,45-46H,1-4H3
InChIKeySTTLBHSYBABWSP-UHFFFAOYSA-N
MW694.49 g/mol
LogP9.16
Rot. Bonds9

About [3-(difluoromethyl)-5-(trifluoromethyl)phenyl]-[2-[2-[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]phosphanyl-4-methoxy-6-methylphenyl]-5-methoxy-3-methylphenyl]phosphane

[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]-[2-[2-[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]phosphanyl-4-methoxy-6-methylphenyl]-5-methoxy-3-methylphenyl]phosphane (PubChem CID 162286018) has the molecular formula C32H26F10O2P2 and a molecular weight of 694.49 g/mol. Its IUPAC name is [3-(difluoromethyl)-5-(trifluoromethyl)phenyl]-[2-[2-[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]phosphanyl-4-methoxy-6-methylphenyl]-5-methoxy-3-methylphenyl]phosphane.

Molecular Properties

Compound Name[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]-[2-[2-[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]phosphanyl-4-methoxy-6-methylphenyl]-5-methoxy-3-methylphenyl]phosphane
PubChem CID162286018
Molecular FormulaC32H26F10O2P2
Molecular Weight694.49 g/mol
Exact Mass694.12
IUPAC Name[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]-[2-[2-[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]phosphanyl-4-methoxy-6-methylphenyl]-5-methoxy-3-methylphenyl]phosphane
SMILESCOc1cc(C)c(-c2c(C)cc(OC)cc2Pc2cc(C(F)F)cc(C(F)(F)F)c2)c(Pc2cc(C(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C32H26F10O2P2/c1-15-5-21(43-3)13-25(45-23-9-17(29(33)34)7-19(11-23)31(37,38)39)27(15)28-16(2)6-22(44-4)14-26(28)46-24-10-18(30(35)36)8-20(12-24)32(40,41)42/h5-14,29-30,45-46H,1-4H3
InChIKeySTTLBHSYBABWSP-UHFFFAOYSA-N
XLogP9.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.49
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-(difluoromethyl)-5-(trifluoromethyl)phenyl]-[2-[2-[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]phosphanyl-4-methoxy-6-methylphenyl]-5-methoxy-3-methylphenyl]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

1-tert-butyl-3-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 165377879
[3,5-bis(trifluoromethyl)phenyl]-(2-methoxyphenyl)phosphane
CID 140618175
(S)-cyclohexyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine
CID 171227976
(R)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine
CID 171208388
N-[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]sulfanylmethanamine;fluoromethane
CID 142229110
[3,5-bis(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanol
CID 3625167
(S)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171227973
1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene
CID 166607829
1-(3,5-dimethoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312157
methyl 2-[3,5-bis(trifluoromethyl)phenyl]-2-bromoacetate
CID 10384209
4-methoxy-2-methyl-6-(trifluoromethyl)aniline
CID 19842533
1-methoxy-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene
CID 121297371

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-5-(trifluoromethyl)phenyl]-[2-[2-[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]phosphanyl-4-methoxy-6-methylphenyl]-5-methoxy-3-methylphenyl]phosphane?
The IUPAC name of [3-(difluoromethyl)-5-(trifluoromethyl)phenyl]-[2-[2-[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]phosphanyl-4-methoxy-6-methylphenyl]-5-methoxy-3-methylphenyl]phosphane (CID 162286018) is [3-(difluoromethyl)-5-(trifluoromethyl)phenyl]-[2-[2-[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]phosphanyl-4-methoxy-6-methylphenyl]-5-methoxy-3-methylphenyl]phosphane.
What is the SMILES notation for [3-(difluoromethyl)-5-(trifluoromethyl)phenyl]-[2-[2-[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]phosphanyl-4-methoxy-6-methylphenyl]-5-methoxy-3-methylphenyl]phosphane?
The canonical SMILES for [3-(difluoromethyl)-5-(trifluoromethyl)phenyl]-[2-[2-[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]phosphanyl-4-methoxy-6-methylphenyl]-5-methoxy-3-methylphenyl]phosphane is COc1cc(C)c(-c2c(C)cc(OC)cc2Pc2cc(C(F)F)cc(C(F)(F)F)c2)c(Pc2cc(C(F)F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of [3-(difluoromethyl)-5-(trifluoromethyl)phenyl]-[2-[2-[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]phosphanyl-4-methoxy-6-methylphenyl]-5-methoxy-3-methylphenyl]phosphane?
The InChIKey is STTLBHSYBABWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F10O2P2/c1-15-5-21(43-3)13-25(45-23-9-17(29(33)34)7-19(11-23)31(37,38)39)27(15)28-16(2)6-22(44-4)14-26(28)46-24-10-18(30(35)36)8-20(12-24)32(40,41)42/h5-14,29-30,45-46H,1-4H3.
What are the key properties of [3-(difluoromethyl)-5-(trifluoromethyl)phenyl]-[2-[2-[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]phosphanyl-4-methoxy-6-methylphenyl]-5-methoxy-3-methylphenyl]phosphane?
[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]-[2-[2-[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]phosphanyl-4-methoxy-6-methylphenyl]-5-methoxy-3-methylphenyl]phosphane has a molecular weight of 694.49 g/mol, XLogP of 9.16, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-5-(trifluoromethyl)phenyl]-[2-[2-[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]phosphanyl-4-methoxy-6-methylphenyl]-5-methoxy-3-methylphenyl]phosphane is sourced from PubChem (CID 162286018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).