cyclohexyl-[2-(2,2,2-trifluoroethyl)phenyl]phosphinic acid

C14H18F3O2P — CID 66796646

IUPACcyclohexyl-[2-(2,2,2-trifluoroethyl)phenyl]phosphinic acid
SMILESO=P(O)(c1ccccc1CC(F)(F)F)C1CCCCC1
InChIInChI=1S/C14H18F3O2P/c15-14(16,17)10-11-6-4-5-9-13(11)20(18,19)12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8,10H2,(H,18,19)
InChIKeyZVNSYFJJSAMFAU-UHFFFAOYSA-N
MW306.26 g/mol
LogP4.02
Rot. Bonds3

About cyclohexyl-[2-(2,2,2-trifluoroethyl)phenyl]phosphinic acid

cyclohexyl-[2-(2,2,2-trifluoroethyl)phenyl]phosphinic acid (PubChem CID 66796646) has the molecular formula C14H18F3O2P and a molecular weight of 306.26 g/mol. Its IUPAC name is cyclohexyl-[2-(2,2,2-trifluoroethyl)phenyl]phosphinic acid.

Molecular Properties

Compound Namecyclohexyl-[2-(2,2,2-trifluoroethyl)phenyl]phosphinic acid
PubChem CID66796646
Molecular FormulaC14H18F3O2P
Molecular Weight306.26 g/mol
Exact Mass306.10
IUPAC Namecyclohexyl-[2-(2,2,2-trifluoroethyl)phenyl]phosphinic acid
SMILESO=P(O)(c1ccccc1CC(F)(F)F)C1CCCCC1
InChIInChI=1S/C14H18F3O2P/c15-14(16,17)10-11-6-4-5-9-13(11)20(18,19)12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8,10H2,(H,18,19)
InChIKeyZVNSYFJJSAMFAU-UHFFFAOYSA-N
XLogP4.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-(2,2,2-trifluoroethyl)phenyl]phosphinic acid?
The IUPAC name of cyclohexyl-[2-(2,2,2-trifluoroethyl)phenyl]phosphinic acid (CID 66796646) is cyclohexyl-[2-(2,2,2-trifluoroethyl)phenyl]phosphinic acid.
What is the SMILES notation for cyclohexyl-[2-(2,2,2-trifluoroethyl)phenyl]phosphinic acid?
The canonical SMILES for cyclohexyl-[2-(2,2,2-trifluoroethyl)phenyl]phosphinic acid is O=P(O)(c1ccccc1CC(F)(F)F)C1CCCCC1.
What is the InChIKey of cyclohexyl-[2-(2,2,2-trifluoroethyl)phenyl]phosphinic acid?
The InChIKey is ZVNSYFJJSAMFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3O2P/c15-14(16,17)10-11-6-4-5-9-13(11)20(18,19)12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8,10H2,(H,18,19).
What are the key properties of cyclohexyl-[2-(2,2,2-trifluoroethyl)phenyl]phosphinic acid?
cyclohexyl-[2-(2,2,2-trifluoroethyl)phenyl]phosphinic acid has a molecular weight of 306.26 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-(2,2,2-trifluoroethyl)phenyl]phosphinic acid is sourced from PubChem (CID 66796646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).