[(1S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane

C29H38F6P2 — CID 140562071

IUPAC[(1S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane
SMILESCC(C1CCC[C@@H]1P(C(C)(C)C)C(C)(C)C)P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H38F6P2/c1-19(24-9-8-10-25(24)37(26(2,3)4)27(5,6)7)36(22-15-11-20(12-16-22)28(30,31)32)23-17-13-21(14-18-23)29(33,34)35/h11-19,24-25H,8-10H2,1-7H3/t19?,24?,25-/m0/s1
InChIKeyJHOPRSRWKGYDIM-GATLKJJBSA-N
MW562.56 g/mol
LogP9.79
Rot. Bonds5

About [(1S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane

[(1S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane (PubChem CID 140562071) has the molecular formula C29H38F6P2 and a molecular weight of 562.56 g/mol. Its IUPAC name is [(1S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane.

Molecular Properties

Compound Name[(1S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane
PubChem CID140562071
Molecular FormulaC29H38F6P2
Molecular Weight562.56 g/mol
Exact Mass562.24
IUPAC Name[(1S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane
SMILESCC(C1CCC[C@@H]1P(C(C)(C)C)C(C)(C)C)P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H38F6P2/c1-19(24-9-8-10-25(24)37(26(2,3)4)27(5,6)7)36(22-15-11-20(12-16-22)28(30,31)32)23-17-13-21(14-18-23)29(33,34)35/h11-19,24-25H,8-10H2,1-7H3/t19?,24?,25-/m0/s1
InChIKeyJHOPRSRWKGYDIM-GATLKJJBSA-N
XLogP9.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.56
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(1S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane?
The IUPAC name of [(1S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane (CID 140562071) is [(1S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane.
What is the SMILES notation for [(1S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane?
The canonical SMILES for [(1S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane is CC(C1CCC[C@@H]1P(C(C)(C)C)C(C)(C)C)P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [(1S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane?
The InChIKey is JHOPRSRWKGYDIM-GATLKJJBSA-N. The full InChI is InChI=1S/C29H38F6P2/c1-19(24-9-8-10-25(24)37(26(2,3)4)27(5,6)7)36(22-15-11-20(12-16-22)28(30,31)32)23-17-13-21(14-18-23)29(33,34)35/h11-19,24-25H,8-10H2,1-7H3/t19?,24?,25-/m0/s1.
What are the key properties of [(1S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane?
[(1S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane has a molecular weight of 562.56 g/mol, XLogP of 9.79, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane is sourced from PubChem (CID 140562071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).