3-(2-fluorocyclohexyl)but-2-enylphosphonic acid

C10H18FO3P — CID 66796527

IUPAC3-(2-fluorocyclohexyl)but-2-enylphosphonic acid
SMILESCC(=CCP(=O)(O)O)C1CCCCC1F
InChIInChI=1S/C10H18FO3P/c1-8(6-7-15(12,13)14)9-4-2-3-5-10(9)11/h6,9-10H,2-5,7H2,1H3,(H2,12,13,14)
InChIKeyRAFWSZBNRPPULW-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.64
Rot. Bonds3

About 3-(2-fluorocyclohexyl)but-2-enylphosphonic acid

3-(2-fluorocyclohexyl)but-2-enylphosphonic acid (PubChem CID 66796527) has the molecular formula C10H18FO3P and a molecular weight of 236.22 g/mol. Its IUPAC name is 3-(2-fluorocyclohexyl)but-2-enylphosphonic acid.

Molecular Properties

Compound Name3-(2-fluorocyclohexyl)but-2-enylphosphonic acid
PubChem CID66796527
Molecular FormulaC10H18FO3P
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC Name3-(2-fluorocyclohexyl)but-2-enylphosphonic acid
SMILESCC(=CCP(=O)(O)O)C1CCCCC1F
InChIInChI=1S/C10H18FO3P/c1-8(6-7-15(12,13)14)9-4-2-3-5-10(9)11/h6,9-10H,2-5,7H2,1H3,(H2,12,13,14)
InChIKeyRAFWSZBNRPPULW-UHFFFAOYSA-N
XLogP2.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorocyclohexyl)but-2-enylphosphonic acid?
The IUPAC name of 3-(2-fluorocyclohexyl)but-2-enylphosphonic acid (CID 66796527) is 3-(2-fluorocyclohexyl)but-2-enylphosphonic acid.
What is the SMILES notation for 3-(2-fluorocyclohexyl)but-2-enylphosphonic acid?
The canonical SMILES for 3-(2-fluorocyclohexyl)but-2-enylphosphonic acid is CC(=CCP(=O)(O)O)C1CCCCC1F.
What is the InChIKey of 3-(2-fluorocyclohexyl)but-2-enylphosphonic acid?
The InChIKey is RAFWSZBNRPPULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FO3P/c1-8(6-7-15(12,13)14)9-4-2-3-5-10(9)11/h6,9-10H,2-5,7H2,1H3,(H2,12,13,14).
What are the key properties of 3-(2-fluorocyclohexyl)but-2-enylphosphonic acid?
3-(2-fluorocyclohexyl)but-2-enylphosphonic acid has a molecular weight of 236.22 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorocyclohexyl)but-2-enylphosphonic acid is sourced from PubChem (CID 66796527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).