1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopentyl]ethyl-ditert-butylphosphane

C29H38F6P2 — CID 76667487

IUPAC1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopentyl]ethyl-ditert-butylphosphane
SMILESCC(C1CCCC1P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C29H38F6P2/c1-19(37(26(2,3)4)27(5,6)7)24-9-8-10-25(24)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
InChIKeyVSPUBGCATGQRGJ-UHFFFAOYSA-N
MW562.56 g/mol
LogP9.79
Rot. Bonds5

About 1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopentyl]ethyl-ditert-butylphosphane

1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopentyl]ethyl-ditert-butylphosphane (PubChem CID 76667487) has the molecular formula C29H38F6P2 and a molecular weight of 562.56 g/mol. Its IUPAC name is 1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopentyl]ethyl-ditert-butylphosphane.

Molecular Properties

Compound Name1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopentyl]ethyl-ditert-butylphosphane
PubChem CID76667487
Molecular FormulaC29H38F6P2
Molecular Weight562.56 g/mol
Exact Mass562.24
IUPAC Name1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopentyl]ethyl-ditert-butylphosphane
SMILESCC(C1CCCC1P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C29H38F6P2/c1-19(37(26(2,3)4)27(5,6)7)24-9-8-10-25(24)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
InChIKeyVSPUBGCATGQRGJ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopentyl]ethyl-ditert-butylphosphane?
The IUPAC name of 1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopentyl]ethyl-ditert-butylphosphane (CID 76667487) is 1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopentyl]ethyl-ditert-butylphosphane.
What is the SMILES notation for 1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopentyl]ethyl-ditert-butylphosphane?
The canonical SMILES for 1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopentyl]ethyl-ditert-butylphosphane is CC(C1CCCC1P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)P(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopentyl]ethyl-ditert-butylphosphane?
The InChIKey is VSPUBGCATGQRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38F6P2/c1-19(37(26(2,3)4)27(5,6)7)24-9-8-10-25(24)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.
What are the key properties of 1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopentyl]ethyl-ditert-butylphosphane?
1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopentyl]ethyl-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 1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopentyl]ethyl-ditert-butylphosphane is sourced from PubChem (CID 76667487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).