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

C10H15F6O3P — CID 87155145

IUPAC[1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid
SMILESO=P(O)(O)C1(CC(F)(F)F)CCCCC1CC(F)(F)F
InChIInChI=1S/C10H15F6O3P/c11-9(12,13)5-7-3-1-2-4-8(7,20(17,18)19)6-10(14,15)16/h7H,1-6H2,(H2,17,18,19)
InChIKeyUXQAIXGJOUMCKI-UHFFFAOYSA-N
MW328.19 g/mol
LogP4.00
Rot. Bonds3

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

[1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid (PubChem CID 87155145) has the molecular formula C10H15F6O3P and a molecular weight of 328.19 g/mol. Its IUPAC name is [1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid.

Molecular Properties

Compound Name[1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid
PubChem CID87155145
Molecular FormulaC10H15F6O3P
Molecular Weight328.19 g/mol
Exact Mass328.07
IUPAC Name[1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid
SMILESO=P(O)(O)C1(CC(F)(F)F)CCCCC1CC(F)(F)F
InChIInChI=1S/C10H15F6O3P/c11-9(12,13)5-7-3-1-2-4-8(7,20(17,18)19)6-10(14,15)16/h7H,1-6H2,(H2,17,18,19)
InChIKeyUXQAIXGJOUMCKI-UHFFFAOYSA-N
XLogP4.00
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-ethyl-1-(2,2,2-trifluoroethyl)cyclohexyl]-dioxido-oxo-λ5-phosphane
CID 154078614
[2-ethyl-2,3-bis(2,2,2-trifluoroethyl)piperidin-1-yl]phosphonic acid
CID 140667519
[2-fluoro-2-methyl-1-(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid
CID 66796815
3-methyl-1-(2,2,2-trifluoroethyl)cyclohexane-1-carbaldehyde
CID 131142601
cis-(1S,2S)-2-amino-1-(trifluoromethyl)cyclohexan-1-ol
CID 95241025
cis-(1S,2R)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 96628448
[1-(2,2,2-trifluoroethyl)cyclopentyl]methanol
CID 131010290
(1,2-diethylcyclohexyl) dihydrogen phosphate
CID 67296189
bis(1,2-diethylcyclohexyl) hydrogen phosphate
CID 67296328
2,2-difluorocyclohexan-1-amine;formic acid
CID 126843056
7-(2,2,2-trifluoroethyl)bicyclo[4.1.0]heptan-7-amine
CID 79331490
1-(2,2,2-trifluoroethyl)cyclopentan-1-amine
CID 82413873

Frequently Asked Questions

What is the IUPAC name of [1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid?
The IUPAC name of [1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid (CID 87155145) is [1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid.
What is the SMILES notation for [1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid?
The canonical SMILES for [1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid is O=P(O)(O)C1(CC(F)(F)F)CCCCC1CC(F)(F)F.
What is the InChIKey of [1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid?
The InChIKey is UXQAIXGJOUMCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6O3P/c11-9(12,13)5-7-3-1-2-4-8(7,20(17,18)19)6-10(14,15)16/h7H,1-6H2,(H2,17,18,19).
What are the key properties of [1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid?
[1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid has a molecular weight of 328.19 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid is sourced from PubChem (CID 87155145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).