bis(4-cyclohexylphenyl)phosphane;trifluoromethanesulfonic acid

C25H32F3O3PS — CID 171927734

IUPACbis(4-cyclohexylphenyl)phosphane;trifluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)F.c1cc(C2CCCCC2)ccc1Pc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C24H31P.CHF3O3S/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20;2-1(3,4)8(5,6)7/h11-20,25H,1-10H2;(H,5,6,7)
InChIKeyZQKXJGLHLXJIHY-UHFFFAOYSA-N
MW500.56 g/mol
LogP6.81
Rot. Bonds4

About bis(4-cyclohexylphenyl)phosphane;trifluoromethanesulfonic acid

bis(4-cyclohexylphenyl)phosphane;trifluoromethanesulfonic acid (PubChem CID 171927734) has the molecular formula C25H32F3O3PS and a molecular weight of 500.56 g/mol. Its IUPAC name is bis(4-cyclohexylphenyl)phosphane;trifluoromethanesulfonic acid.

Molecular Properties

Compound Namebis(4-cyclohexylphenyl)phosphane;trifluoromethanesulfonic acid
PubChem CID171927734
Molecular FormulaC25H32F3O3PS
Molecular Weight500.56 g/mol
Exact Mass500.18
IUPAC Namebis(4-cyclohexylphenyl)phosphane;trifluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)F.c1cc(C2CCCCC2)ccc1Pc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C24H31P.CHF3O3S/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20;2-1(3,4)8(5,6)7/h11-20,25H,1-10H2;(H,5,6,7)
InChIKeyZQKXJGLHLXJIHY-UHFFFAOYSA-N
XLogP6.81
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.56
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

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2,3-dicyclohexylbenzenethiol;trifluoromethanesulfonic acid
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CID 67861960
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1-(4-cyclohexylphenyl)-4,4,4-trifluorobutane-1,3-dione
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1-chloro-3-cyclopropylbenzene;trifluoromethanesulfonic acid
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cyclohexylbenzene;1,1,2,3,3,3-hexafluoropropane-1-sulfonic acid;phenylhydrazine
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1-cyclohexyl-4-(1,1,2,2-tetrafluoroethyl)benzene
CID 23236608
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CID 8900200

Frequently Asked Questions

What is the IUPAC name of bis(4-cyclohexylphenyl)phosphane;trifluoromethanesulfonic acid?
The IUPAC name of bis(4-cyclohexylphenyl)phosphane;trifluoromethanesulfonic acid (CID 171927734) is bis(4-cyclohexylphenyl)phosphane;trifluoromethanesulfonic acid.
What is the SMILES notation for bis(4-cyclohexylphenyl)phosphane;trifluoromethanesulfonic acid?
The canonical SMILES for bis(4-cyclohexylphenyl)phosphane;trifluoromethanesulfonic acid is O=S(=O)(O)C(F)(F)F.c1cc(C2CCCCC2)ccc1Pc1ccc(C2CCCCC2)cc1.
What is the InChIKey of bis(4-cyclohexylphenyl)phosphane;trifluoromethanesulfonic acid?
The InChIKey is ZQKXJGLHLXJIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31P.CHF3O3S/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20;2-1(3,4)8(5,6)7/h11-20,25H,1-10H2;(H,5,6,7).
What are the key properties of bis(4-cyclohexylphenyl)phosphane;trifluoromethanesulfonic acid?
bis(4-cyclohexylphenyl)phosphane;trifluoromethanesulfonic acid has a molecular weight of 500.56 g/mol, XLogP of 6.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-cyclohexylphenyl)phosphane;trifluoromethanesulfonic acid is sourced from PubChem (CID 171927734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).