[4-(2-fluorophenyl)-1-phenylbutyl]phosphonic acid

C16H18FO3P — CID 66796239

IUPAC[4-(2-fluorophenyl)-1-phenylbutyl]phosphonic acid
SMILESO=P(O)(O)C(CCCc1ccccc1F)c1ccccc1
InChIInChI=1S/C16H18FO3P/c17-15-11-5-4-7-13(15)10-6-12-16(21(18,19)20)14-8-2-1-3-9-14/h1-5,7-9,11,16H,6,10,12H2,(H2,18,19,20)
InChIKeyFBRDMVJRKGKQLG-UHFFFAOYSA-N
MW308.29 g/mol
LogP4.07
Rot. Bonds6

About [4-(2-fluorophenyl)-1-phenylbutyl]phosphonic acid

[4-(2-fluorophenyl)-1-phenylbutyl]phosphonic acid (PubChem CID 66796239) has the molecular formula C16H18FO3P and a molecular weight of 308.29 g/mol. Its IUPAC name is [4-(2-fluorophenyl)-1-phenylbutyl]phosphonic acid.

Molecular Properties

Compound Name[4-(2-fluorophenyl)-1-phenylbutyl]phosphonic acid
PubChem CID66796239
Molecular FormulaC16H18FO3P
Molecular Weight308.29 g/mol
Exact Mass308.10
IUPAC Name[4-(2-fluorophenyl)-1-phenylbutyl]phosphonic acid
SMILESO=P(O)(O)C(CCCc1ccccc1F)c1ccccc1
InChIInChI=1S/C16H18FO3P/c17-15-11-5-4-7-13(15)10-6-12-16(21(18,19)20)14-8-2-1-3-9-14/h1-5,7-9,11,16H,6,10,12H2,(H2,18,19,20)
InChIKeyFBRDMVJRKGKQLG-UHFFFAOYSA-N
XLogP4.07
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 54.07
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-(2-fluorophenyl)-1-phenylbutyl]phosphonic acid?
The IUPAC name of [4-(2-fluorophenyl)-1-phenylbutyl]phosphonic acid (CID 66796239) is [4-(2-fluorophenyl)-1-phenylbutyl]phosphonic acid.
What is the SMILES notation for [4-(2-fluorophenyl)-1-phenylbutyl]phosphonic acid?
The canonical SMILES for [4-(2-fluorophenyl)-1-phenylbutyl]phosphonic acid is O=P(O)(O)C(CCCc1ccccc1F)c1ccccc1.
What is the InChIKey of [4-(2-fluorophenyl)-1-phenylbutyl]phosphonic acid?
The InChIKey is FBRDMVJRKGKQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FO3P/c17-15-11-5-4-7-13(15)10-6-12-16(21(18,19)20)14-8-2-1-3-9-14/h1-5,7-9,11,16H,6,10,12H2,(H2,18,19,20).
What are the key properties of [4-(2-fluorophenyl)-1-phenylbutyl]phosphonic acid?
[4-(2-fluorophenyl)-1-phenylbutyl]phosphonic acid has a molecular weight of 308.29 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)-1-phenylbutyl]phosphonic acid is sourced from PubChem (CID 66796239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).