2-(2-fluorocyclohexyl)prop-1-enylphosphonic acid

C9H16FO3P — CID 66796889

IUPAC2-(2-fluorocyclohexyl)prop-1-enylphosphonic acid
SMILESCC(=CP(=O)(O)O)C1CCCCC1F
InChIInChI=1S/C9H16FO3P/c1-7(6-14(11,12)13)8-4-2-3-5-9(8)10/h6,8-9H,2-5H2,1H3,(H2,11,12,13)
InChIKeyNOJUWPPFVFQHQI-UHFFFAOYSA-N
MW222.20 g/mol
LogP2.60
Rot. Bonds2

About 2-(2-fluorocyclohexyl)prop-1-enylphosphonic acid

2-(2-fluorocyclohexyl)prop-1-enylphosphonic acid (PubChem CID 66796889) has the molecular formula C9H16FO3P and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-(2-fluorocyclohexyl)prop-1-enylphosphonic acid.

Molecular Properties

Compound Name2-(2-fluorocyclohexyl)prop-1-enylphosphonic acid
PubChem CID66796889
Molecular FormulaC9H16FO3P
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name2-(2-fluorocyclohexyl)prop-1-enylphosphonic acid
SMILESCC(=CP(=O)(O)O)C1CCCCC1F
InChIInChI=1S/C9H16FO3P/c1-7(6-14(11,12)13)8-4-2-3-5-9(8)10/h6,8-9H,2-5H2,1H3,(H2,11,12,13)
InChIKeyNOJUWPPFVFQHQI-UHFFFAOYSA-N
XLogP2.60
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 52.60
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-(2-fluorocyclohexyl)prop-1-enylphosphonic acid?
The IUPAC name of 2-(2-fluorocyclohexyl)prop-1-enylphosphonic acid (CID 66796889) is 2-(2-fluorocyclohexyl)prop-1-enylphosphonic acid.
What is the SMILES notation for 2-(2-fluorocyclohexyl)prop-1-enylphosphonic acid?
The canonical SMILES for 2-(2-fluorocyclohexyl)prop-1-enylphosphonic acid is CC(=CP(=O)(O)O)C1CCCCC1F.
What is the InChIKey of 2-(2-fluorocyclohexyl)prop-1-enylphosphonic acid?
The InChIKey is NOJUWPPFVFQHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FO3P/c1-7(6-14(11,12)13)8-4-2-3-5-9(8)10/h6,8-9H,2-5H2,1H3,(H2,11,12,13).
What are the key properties of 2-(2-fluorocyclohexyl)prop-1-enylphosphonic acid?
2-(2-fluorocyclohexyl)prop-1-enylphosphonic acid has a molecular weight of 222.20 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorocyclohexyl)prop-1-enylphosphonic acid is sourced from PubChem (CID 66796889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).