[4,4,4-trifluoro-2-(2-fluorocyclohexyl)butan-2-yl]phosphonic acid

C10H17F4O3P — CID 66796837

IUPAC[4,4,4-trifluoro-2-(2-fluorocyclohexyl)butan-2-yl]phosphonic acid
SMILESCC(CC(F)(F)F)(C1CCCCC1F)P(=O)(O)O
InChIInChI=1S/C10H17F4O3P/c1-9(18(15,16)17,6-10(12,13)14)7-4-2-3-5-8(7)11/h7-8H,2-6H2,1H3,(H2,15,16,17)
InChIKeyJVWUMHCVUYVWJG-UHFFFAOYSA-N
MW292.21 g/mol
LogP3.40
Rot. Bonds3

About [4,4,4-trifluoro-2-(2-fluorocyclohexyl)butan-2-yl]phosphonic acid

[4,4,4-trifluoro-2-(2-fluorocyclohexyl)butan-2-yl]phosphonic acid (PubChem CID 66796837) has the molecular formula C10H17F4O3P and a molecular weight of 292.21 g/mol. Its IUPAC name is [4,4,4-trifluoro-2-(2-fluorocyclohexyl)butan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[4,4,4-trifluoro-2-(2-fluorocyclohexyl)butan-2-yl]phosphonic acid
PubChem CID66796837
Molecular FormulaC10H17F4O3P
Molecular Weight292.21 g/mol
Exact Mass292.09
IUPAC Name[4,4,4-trifluoro-2-(2-fluorocyclohexyl)butan-2-yl]phosphonic acid
SMILESCC(CC(F)(F)F)(C1CCCCC1F)P(=O)(O)O
InChIInChI=1S/C10H17F4O3P/c1-9(18(15,16)17,6-10(12,13)14)7-4-2-3-5-8(7)11/h7-8H,2-6H2,1H3,(H2,15,16,17)
InChIKeyJVWUMHCVUYVWJG-UHFFFAOYSA-N
XLogP3.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 53.40
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 [4,4,4-trifluoro-2-(2-fluorocyclohexyl)butan-2-yl]phosphonic acid?
The IUPAC name of [4,4,4-trifluoro-2-(2-fluorocyclohexyl)butan-2-yl]phosphonic acid (CID 66796837) is [4,4,4-trifluoro-2-(2-fluorocyclohexyl)butan-2-yl]phosphonic acid.
What is the SMILES notation for [4,4,4-trifluoro-2-(2-fluorocyclohexyl)butan-2-yl]phosphonic acid?
The canonical SMILES for [4,4,4-trifluoro-2-(2-fluorocyclohexyl)butan-2-yl]phosphonic acid is CC(CC(F)(F)F)(C1CCCCC1F)P(=O)(O)O.
What is the InChIKey of [4,4,4-trifluoro-2-(2-fluorocyclohexyl)butan-2-yl]phosphonic acid?
The InChIKey is JVWUMHCVUYVWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4O3P/c1-9(18(15,16)17,6-10(12,13)14)7-4-2-3-5-8(7)11/h7-8H,2-6H2,1H3,(H2,15,16,17).
What are the key properties of [4,4,4-trifluoro-2-(2-fluorocyclohexyl)butan-2-yl]phosphonic acid?
[4,4,4-trifluoro-2-(2-fluorocyclohexyl)butan-2-yl]phosphonic acid has a molecular weight of 292.21 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4,4-trifluoro-2-(2-fluorocyclohexyl)butan-2-yl]phosphonic acid is sourced from PubChem (CID 66796837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).