[2-fluoro-1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid

C10H14F7O3P — CID 87154733

IUPAC[2-fluoro-1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid
SMILESO=P(O)(O)C1(CC(F)(F)F)CCCCC1(F)CC(F)(F)F
InChIInChI=1S/C10H14F7O3P/c11-7(5-9(12,13)14)3-1-2-4-8(7,21(18,19)20)6-10(15,16)17/h1-6H2,(H2,18,19,20)
InChIKeyVSUICCFXYSOFOF-UHFFFAOYSA-N
MW346.18 g/mol
LogP4.09
Rot. Bonds3

About [2-fluoro-1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid

[2-fluoro-1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid (PubChem CID 87154733) has the molecular formula C10H14F7O3P and a molecular weight of 346.18 g/mol. Its IUPAC name is [2-fluoro-1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid.

Molecular Properties

Compound Name[2-fluoro-1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid
PubChem CID87154733
Molecular FormulaC10H14F7O3P
Molecular Weight346.18 g/mol
Exact Mass346.06
IUPAC Name[2-fluoro-1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid
SMILESO=P(O)(O)C1(CC(F)(F)F)CCCCC1(F)CC(F)(F)F
InChIInChI=1S/C10H14F7O3P/c11-7(5-9(12,13)14)3-1-2-4-8(7,21(18,19)20)6-10(15,16)17/h1-6H2,(H2,18,19,20)
InChIKeyVSUICCFXYSOFOF-UHFFFAOYSA-N
XLogP4.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 54.09
H-Bond Donors ≤ 52
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 [2-fluoro-1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid?
The IUPAC name of [2-fluoro-1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid (CID 87154733) is [2-fluoro-1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid.
What is the SMILES notation for [2-fluoro-1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid?
The canonical SMILES for [2-fluoro-1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid is O=P(O)(O)C1(CC(F)(F)F)CCCCC1(F)CC(F)(F)F.
What is the InChIKey of [2-fluoro-1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid?
The InChIKey is VSUICCFXYSOFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F7O3P/c11-7(5-9(12,13)14)3-1-2-4-8(7,21(18,19)20)6-10(15,16)17/h1-6H2,(H2,18,19,20).
What are the key properties of [2-fluoro-1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid?
[2-fluoro-1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid has a molecular weight of 346.18 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid is sourced from PubChem (CID 87154733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).