[3-[bis[4-(trifluoromethyl)phenyl]phosphanylmethyl]-2-bicyclo[2.2.1]heptanyl]methyl-bis[4-(trifluoromethyl)phenyl]phosphane

C37H30F12P2 — CID 57108669

IUPAC[3-[bis[4-(trifluoromethyl)phenyl]phosphanylmethyl]-2-bicyclo[2.2.1]heptanyl]methyl-bis[4-(trifluoromethyl)phenyl]phosphane
SMILESFC(F)(F)c1ccc(P(CC2C3CCC(C3)C2CP(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C37H30F12P2/c38-34(39,40)24-3-11-28(12-4-24)50(29-13-5-25(6-14-29)35(41,42)43)20-32-22-1-2-23(19-22)33(32)21-51(30-15-7-26(8-16-30)36(44,45)46)31-17-9-27(10-18-31)37(47,48)49/h3-18,22-23,32-33H,1-2,19-21H2
InChIKeySSBXNLQFKNCJLI-UHFFFAOYSA-N
MW764.57 g/mol
LogP10.99
Rot. Bonds8

About [3-[bis[4-(trifluoromethyl)phenyl]phosphanylmethyl]-2-bicyclo[2.2.1]heptanyl]methyl-bis[4-(trifluoromethyl)phenyl]phosphane

[3-[bis[4-(trifluoromethyl)phenyl]phosphanylmethyl]-2-bicyclo[2.2.1]heptanyl]methyl-bis[4-(trifluoromethyl)phenyl]phosphane (PubChem CID 57108669) has the molecular formula C37H30F12P2 and a molecular weight of 764.57 g/mol. Its IUPAC name is [3-[bis[4-(trifluoromethyl)phenyl]phosphanylmethyl]-2-bicyclo[2.2.1]heptanyl]methyl-bis[4-(trifluoromethyl)phenyl]phosphane.

Molecular Properties

Compound Name[3-[bis[4-(trifluoromethyl)phenyl]phosphanylmethyl]-2-bicyclo[2.2.1]heptanyl]methyl-bis[4-(trifluoromethyl)phenyl]phosphane
PubChem CID57108669
Molecular FormulaC37H30F12P2
Molecular Weight764.57 g/mol
Exact Mass764.16
IUPAC Name[3-[bis[4-(trifluoromethyl)phenyl]phosphanylmethyl]-2-bicyclo[2.2.1]heptanyl]methyl-bis[4-(trifluoromethyl)phenyl]phosphane
SMILESFC(F)(F)c1ccc(P(CC2C3CCC(C3)C2CP(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C37H30F12P2/c38-34(39,40)24-3-11-28(12-4-24)50(29-13-5-25(6-14-29)35(41,42)43)20-32-22-1-2-23(19-22)33(32)21-51(30-15-7-26(8-16-30)36(44,45)46)31-17-9-27(10-18-31)37(47,48)49/h3-18,22-23,32-33H,1-2,19-21H2
InChIKeySSBXNLQFKNCJLI-UHFFFAOYSA-N
XLogP10.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.57
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis[4-(trifluoromethyl)phenyl]phosphanylmethyl-bis[4-(trifluoromethyl)phenyl]phosphane
CID 90169485
[(1S,2R,3R,4R)-3-[bis(3,5-difluorophenyl)phosphanylmethyl]-2-bicyclo[2.2.1]heptanyl]methyl-bis(3,5-difluorophenyl)phosphane
CID 10865143
(4-methoxyphenyl)-[2-[(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]phosphanyl]ethyl]-[4-(trifluoromethyl)phenyl]phosphane
CID 101475739
iodo-bis[4-(trifluoromethyl)phenyl]phosphane
CID 134344295
2-ethoxy-6-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868846
4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 155257067
[1-(3-bicyclo[3.1.0]hexanyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105299679
1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
CID 160836362
[4-[bromo(difluoro)methyl]phenyl]-bis[4-(trifluoromethyl)phenyl]phosphane
CID 164667183
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
bicyclo[2.1.0]pentane;1-ethynyl-3-(trifluoromethyl)benzene
CID 20515239
3-[4-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexyl]cyclohexyl]propanal
CID 21459472

Frequently Asked Questions

What is the IUPAC name of [3-[bis[4-(trifluoromethyl)phenyl]phosphanylmethyl]-2-bicyclo[2.2.1]heptanyl]methyl-bis[4-(trifluoromethyl)phenyl]phosphane?
The IUPAC name of [3-[bis[4-(trifluoromethyl)phenyl]phosphanylmethyl]-2-bicyclo[2.2.1]heptanyl]methyl-bis[4-(trifluoromethyl)phenyl]phosphane (CID 57108669) is [3-[bis[4-(trifluoromethyl)phenyl]phosphanylmethyl]-2-bicyclo[2.2.1]heptanyl]methyl-bis[4-(trifluoromethyl)phenyl]phosphane.
What is the SMILES notation for [3-[bis[4-(trifluoromethyl)phenyl]phosphanylmethyl]-2-bicyclo[2.2.1]heptanyl]methyl-bis[4-(trifluoromethyl)phenyl]phosphane?
The canonical SMILES for [3-[bis[4-(trifluoromethyl)phenyl]phosphanylmethyl]-2-bicyclo[2.2.1]heptanyl]methyl-bis[4-(trifluoromethyl)phenyl]phosphane is FC(F)(F)c1ccc(P(CC2C3CCC(C3)C2CP(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of [3-[bis[4-(trifluoromethyl)phenyl]phosphanylmethyl]-2-bicyclo[2.2.1]heptanyl]methyl-bis[4-(trifluoromethyl)phenyl]phosphane?
The InChIKey is SSBXNLQFKNCJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30F12P2/c38-34(39,40)24-3-11-28(12-4-24)50(29-13-5-25(6-14-29)35(41,42)43)20-32-22-1-2-23(19-22)33(32)21-51(30-15-7-26(8-16-30)36(44,45)46)31-17-9-27(10-18-31)37(47,48)49/h3-18,22-23,32-33H,1-2,19-21H2.
What are the key properties of [3-[bis[4-(trifluoromethyl)phenyl]phosphanylmethyl]-2-bicyclo[2.2.1]heptanyl]methyl-bis[4-(trifluoromethyl)phenyl]phosphane?
[3-[bis[4-(trifluoromethyl)phenyl]phosphanylmethyl]-2-bicyclo[2.2.1]heptanyl]methyl-bis[4-(trifluoromethyl)phenyl]phosphane has a molecular weight of 764.57 g/mol, XLogP of 10.99, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[bis[4-(trifluoromethyl)phenyl]phosphanylmethyl]-2-bicyclo[2.2.1]heptanyl]methyl-bis[4-(trifluoromethyl)phenyl]phosphane is sourced from PubChem (CID 57108669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).