[(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'}

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Related Compounds

[(1S,2S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane
CID 166703176
1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopentyl]ethyl-ditert-butylphosphane
CID 76667487
1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane
CID 76689541
cyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 117061916
[2-[(1R)-1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(2-propan-2-yloxyphenyl)phosphane;[2-[(1S)-1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-ditert-butylphosphane;bis(cyclopentane);iron
CID 162302557
bis[3,5-bis(trifluoromethyl)phenyl]-[2-[(1S)-1-dicyclohexylphosphanylethyl]cyclopentyl]phosphane
CID 89432891
[(1S)-1-(2-tert-butylphosphonoylcyclopentyl)ethyl]-diphenylphosphane
CID 155884992
bis[3,5-bis(trifluoromethyl)phenyl]-[1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;cyclopentane;iron
CID 155886280
cyclopentane;ditert-butyl-[(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 117064270
[(1S)-1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopenten-1-yl]ethyl]-bis[4-(trifluoromethyl)phenyl]phosphane;carbanide;cyclopentane;iron(2+)
CID 155882722
tert-butyl-(2-propan-2-ylcyclopentyl)phosphinous acid
CID 58470961
(1S)-1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine
CID 124831457

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).