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

C10H12FO3P — CID 66796396

IUPAC2-(2-fluorophenyl)but-3-enylphosphonic acid
SMILESC=CC(CP(=O)(O)O)c1ccccc1F
InChIInChI=1S/C10H12FO3P/c1-2-8(7-15(12,13)14)9-5-3-4-6-10(9)11/h2-6,8H,1,7H2,(H2,12,13,14)
InChIKeyQHVCFQUTHOADET-UHFFFAOYSA-N
MW230.17 g/mol
LogP2.27
Rot. Bonds4

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

2-(2-fluorophenyl)but-3-enylphosphonic acid (PubChem CID 66796396) has the molecular formula C10H12FO3P and a molecular weight of 230.17 g/mol. Its IUPAC name is 2-(2-fluorophenyl)but-3-enylphosphonic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)but-3-enylphosphonic acid
PubChem CID66796396
Molecular FormulaC10H12FO3P
Molecular Weight230.17 g/mol
Exact Mass230.05
IUPAC Name2-(2-fluorophenyl)but-3-enylphosphonic acid
SMILESC=CC(CP(=O)(O)O)c1ccccc1F
InChIInChI=1S/C10H12FO3P/c1-2-8(7-15(12,13)14)9-5-3-4-6-10(9)11/h2-6,8H,1,7H2,(H2,12,13,14)
InChIKeyQHVCFQUTHOADET-UHFFFAOYSA-N
XLogP2.27
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.17
LogP ≤ 52.27
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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Related Compounds

(1E,5R)-1-(dimethylamino)-5-(2-fluorophenyl)hepta-1,6-dien-3-one
CID 132553468
[(2-fluorophenyl)-phenylmethyl]phosphonic acid
CID 66796437
2-[1-(2-fluorophenyl)but-3-enylamino]ethanol
CID 115755860
(2S,3R)-3-(2-fluorophenyl)pent-4-en-2-ol
CID 134968528
N-(2-chloroprop-2-enyl)-1-(2-fluorophenyl)but-3-en-1-amine
CID 115891033
N-[(2-fluorophenyl)-(prop-2-enoylamino)methyl]prop-2-enamide
CID 2526936
(2-fluorophenyl)methylphosphonic acid
CID 14926086
N-[1-(2-fluorophenyl)but-3-enyl]pentan-1-amine
CID 4711979
bis(2-fluorophenyl)methanol
CID 18424663
diethyl 2-(2-fluorophenyl)propanedioate
CID 22325508
N-(cyclopropylmethyl)-1-(2-fluorophenyl)but-3-en-1-amine
CID 115755868
3-fluoro-3-(2-fluorophenyl)propanal
CID 105434362

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)but-3-enylphosphonic acid?
The IUPAC name of 2-(2-fluorophenyl)but-3-enylphosphonic acid (CID 66796396) is 2-(2-fluorophenyl)but-3-enylphosphonic acid.
What is the SMILES notation for 2-(2-fluorophenyl)but-3-enylphosphonic acid?
The canonical SMILES for 2-(2-fluorophenyl)but-3-enylphosphonic acid is C=CC(CP(=O)(O)O)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)but-3-enylphosphonic acid?
The InChIKey is QHVCFQUTHOADET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FO3P/c1-2-8(7-15(12,13)14)9-5-3-4-6-10(9)11/h2-6,8H,1,7H2,(H2,12,13,14).
What are the key properties of 2-(2-fluorophenyl)but-3-enylphosphonic acid?
2-(2-fluorophenyl)but-3-enylphosphonic acid has a molecular weight of 230.17 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)but-3-enylphosphonic acid is sourced from PubChem (CID 66796396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).