2-cyclohexylethoxy(2,2,2-trifluoroethyl)phosphinic acid

C10H18F3O3P — CID 87155985

IUPAC2-cyclohexylethoxy(2,2,2-trifluoroethyl)phosphinic acid
SMILESO=P(O)(CC(F)(F)F)OCCC1CCCCC1
InChIInChI=1S/C10H18F3O3P/c11-10(12,13)8-17(14,15)16-7-6-9-4-2-1-3-5-9/h9H,1-8H2,(H,14,15)
InChIKeyCHODPGFIJWOCMD-UHFFFAOYSA-N
MW274.22 g/mol
LogP3.72
Rot. Bonds5

About 2-cyclohexylethoxy(2,2,2-trifluoroethyl)phosphinic acid

2-cyclohexylethoxy(2,2,2-trifluoroethyl)phosphinic acid (PubChem CID 87155985) has the molecular formula C10H18F3O3P and a molecular weight of 274.22 g/mol. Its IUPAC name is 2-cyclohexylethoxy(2,2,2-trifluoroethyl)phosphinic acid.

Molecular Properties

Compound Name2-cyclohexylethoxy(2,2,2-trifluoroethyl)phosphinic acid
PubChem CID87155985
Molecular FormulaC10H18F3O3P
Molecular Weight274.22 g/mol
Exact Mass274.09
IUPAC Name2-cyclohexylethoxy(2,2,2-trifluoroethyl)phosphinic acid
SMILESO=P(O)(CC(F)(F)F)OCCC1CCCCC1
InChIInChI=1S/C10H18F3O3P/c11-10(12,13)8-17(14,15)16-7-6-9-4-2-1-3-5-9/h9H,1-8H2,(H,14,15)
InChIKeyCHODPGFIJWOCMD-UHFFFAOYSA-N
XLogP3.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 53.72
H-Bond Donors ≤ 51
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-cyclohexylethoxy(2,2,2-trifluoroethyl)phosphinic acid?
The IUPAC name of 2-cyclohexylethoxy(2,2,2-trifluoroethyl)phosphinic acid (CID 87155985) is 2-cyclohexylethoxy(2,2,2-trifluoroethyl)phosphinic acid.
What is the SMILES notation for 2-cyclohexylethoxy(2,2,2-trifluoroethyl)phosphinic acid?
The canonical SMILES for 2-cyclohexylethoxy(2,2,2-trifluoroethyl)phosphinic acid is O=P(O)(CC(F)(F)F)OCCC1CCCCC1.
What is the InChIKey of 2-cyclohexylethoxy(2,2,2-trifluoroethyl)phosphinic acid?
The InChIKey is CHODPGFIJWOCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3O3P/c11-10(12,13)8-17(14,15)16-7-6-9-4-2-1-3-5-9/h9H,1-8H2,(H,14,15).
What are the key properties of 2-cyclohexylethoxy(2,2,2-trifluoroethyl)phosphinic acid?
2-cyclohexylethoxy(2,2,2-trifluoroethyl)phosphinic acid has a molecular weight of 274.22 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethoxy(2,2,2-trifluoroethyl)phosphinic acid is sourced from PubChem (CID 87155985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).