[2-diphenylphosphanyl-3-(trifluoromethyl)phenyl]-diphenylphosphane

C31H23F3P2 — CID 174981798

IUPAC[2-diphenylphosphanyl-3-(trifluoromethyl)phenyl]-diphenylphosphane
SMILESFC(F)(F)c1cccc(P(c2ccccc2)c2ccccc2)c1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H23F3P2/c32-31(33,34)28-22-13-23-29(35(24-14-5-1-6-15-24)25-16-7-2-8-17-25)30(28)36(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-23H
InChIKeyRPGVTLSFKXQWON-UHFFFAOYSA-N
MW514.47 g/mol
LogP6.22
Rot. Bonds6

About [2-diphenylphosphanyl-3-(trifluoromethyl)phenyl]-diphenylphosphane

[2-diphenylphosphanyl-3-(trifluoromethyl)phenyl]-diphenylphosphane (PubChem CID 174981798) has the molecular formula C31H23F3P2 and a molecular weight of 514.47 g/mol. Its IUPAC name is [2-diphenylphosphanyl-3-(trifluoromethyl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-diphenylphosphanyl-3-(trifluoromethyl)phenyl]-diphenylphosphane
PubChem CID174981798
Molecular FormulaC31H23F3P2
Molecular Weight514.47 g/mol
Exact Mass514.12
IUPAC Name[2-diphenylphosphanyl-3-(trifluoromethyl)phenyl]-diphenylphosphane
SMILESFC(F)(F)c1cccc(P(c2ccccc2)c2ccccc2)c1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H23F3P2/c32-31(33,34)28-22-13-23-29(35(24-14-5-1-6-15-24)25-16-7-2-8-17-25)30(28)36(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-23H
InChIKeyRPGVTLSFKXQWON-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.47
LogP ≤ 56.22
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

3-[(3-sulfophenyl)-[2-(trifluoromethyl)phenyl]phosphanyl]benzenesulfonic acid
CID 87293012
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
(2-diphenylphosphanyl-3-ethenylphenyl)-diphenylphosphane
CID 141435024
dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine
CID 139240542
[2,6-bis(trifluoromethyl)phenyl]-dichlorophosphane
CID 15031708
(2,6-difluorophenyl)-diphenylphosphane
CID 15876353
rhodium(3+);nonakis(triphenylphosphane);trichloride
CID 173040367
8-diphenylphosphanylnaphthalene-1-thiol
CID 58555902
bis(2,6-difluorophenyl)-phenylphosphane
CID 15876354
dichloro-(2-diphenylphosphanylphenyl)phosphane
CID 5108470
[3-chloro-2-(2-chloro-6-diphenylphosphanylphenyl)phenyl]-diphenylphosphane
CID 22415599
[2,3-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylphosphane
CID 13087581

Frequently Asked Questions

What is the IUPAC name of [2-diphenylphosphanyl-3-(trifluoromethyl)phenyl]-diphenylphosphane?
The IUPAC name of [2-diphenylphosphanyl-3-(trifluoromethyl)phenyl]-diphenylphosphane (CID 174981798) is [2-diphenylphosphanyl-3-(trifluoromethyl)phenyl]-diphenylphosphane.
What is the SMILES notation for [2-diphenylphosphanyl-3-(trifluoromethyl)phenyl]-diphenylphosphane?
The canonical SMILES for [2-diphenylphosphanyl-3-(trifluoromethyl)phenyl]-diphenylphosphane is FC(F)(F)c1cccc(P(c2ccccc2)c2ccccc2)c1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-diphenylphosphanyl-3-(trifluoromethyl)phenyl]-diphenylphosphane?
The InChIKey is RPGVTLSFKXQWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F3P2/c32-31(33,34)28-22-13-23-29(35(24-14-5-1-6-15-24)25-16-7-2-8-17-25)30(28)36(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-23H.
What are the key properties of [2-diphenylphosphanyl-3-(trifluoromethyl)phenyl]-diphenylphosphane?
[2-diphenylphosphanyl-3-(trifluoromethyl)phenyl]-diphenylphosphane has a molecular weight of 514.47 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-diphenylphosphanyl-3-(trifluoromethyl)phenyl]-diphenylphosphane is sourced from PubChem (CID 174981798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).