2-cyclohexylethenyl(2,2,2-trifluoroethyl)phosphinate

C10H15F3O2P- — CID 154509991

IUPAC2-cyclohexylethenyl(2,2,2-trifluoroethyl)phosphinate
SMILESO=P([O-])(C=CC1CCCCC1)CC(F)(F)F
InChIInChI=1S/C10H16F3O2P/c11-10(12,13)8-16(14,15)7-6-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,15)/p-1
InChIKeyPYLFSGUUZVWYBF-UHFFFAOYSA-M
MW255.20 g/mol
LogP3.28
Rot. Bonds3

About 2-cyclohexylethenyl(2,2,2-trifluoroethyl)phosphinate

2-cyclohexylethenyl(2,2,2-trifluoroethyl)phosphinate (PubChem CID 154509991) has the molecular formula C10H15F3O2P- and a molecular weight of 255.20 g/mol. Its IUPAC name is 2-cyclohexylethenyl(2,2,2-trifluoroethyl)phosphinate.

Molecular Properties

Compound Name2-cyclohexylethenyl(2,2,2-trifluoroethyl)phosphinate
PubChem CID154509991
Molecular FormulaC10H15F3O2P-
Molecular Weight255.20 g/mol
Exact Mass255.08
IUPAC Name2-cyclohexylethenyl(2,2,2-trifluoroethyl)phosphinate
SMILESO=P([O-])(C=CC1CCCCC1)CC(F)(F)F
InChIInChI=1S/C10H16F3O2P/c11-10(12,13)8-16(14,15)7-6-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,15)/p-1
InChIKeyPYLFSGUUZVWYBF-UHFFFAOYSA-M
XLogP3.28
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethenyl(2,2,2-trifluoroethyl)phosphinate?
The IUPAC name of 2-cyclohexylethenyl(2,2,2-trifluoroethyl)phosphinate (CID 154509991) is 2-cyclohexylethenyl(2,2,2-trifluoroethyl)phosphinate.
What is the SMILES notation for 2-cyclohexylethenyl(2,2,2-trifluoroethyl)phosphinate?
The canonical SMILES for 2-cyclohexylethenyl(2,2,2-trifluoroethyl)phosphinate is O=P([O-])(C=CC1CCCCC1)CC(F)(F)F.
What is the InChIKey of 2-cyclohexylethenyl(2,2,2-trifluoroethyl)phosphinate?
The InChIKey is PYLFSGUUZVWYBF-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16F3O2P/c11-10(12,13)8-16(14,15)7-6-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,15)/p-1.
What are the key properties of 2-cyclohexylethenyl(2,2,2-trifluoroethyl)phosphinate?
2-cyclohexylethenyl(2,2,2-trifluoroethyl)phosphinate has a molecular weight of 255.20 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethenyl(2,2,2-trifluoroethyl)phosphinate is sourced from PubChem (CID 154509991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).