1,1-bis(4-fluorophenyl)ethylphosphonic acid

C14H13F2O3P — CID 66796812

IUPAC1,1-bis(4-fluorophenyl)ethylphosphonic acid
SMILESCC(c1ccc(F)cc1)(c1ccc(F)cc1)P(=O)(O)O
InChIInChI=1S/C14H13F2O3P/c1-14(20(17,18)19,10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9H,1H3,(H2,17,18,19)
InChIKeyZTPQDQSNMBNSLI-UHFFFAOYSA-N
MW298.23 g/mol
LogP3.41
Rot. Bonds3

About 1,1-bis(4-fluorophenyl)ethylphosphonic acid

1,1-bis(4-fluorophenyl)ethylphosphonic acid (PubChem CID 66796812) has the molecular formula C14H13F2O3P and a molecular weight of 298.23 g/mol. Its IUPAC name is 1,1-bis(4-fluorophenyl)ethylphosphonic acid.

Molecular Properties

Compound Name1,1-bis(4-fluorophenyl)ethylphosphonic acid
PubChem CID66796812
Molecular FormulaC14H13F2O3P
Molecular Weight298.23 g/mol
Exact Mass298.06
IUPAC Name1,1-bis(4-fluorophenyl)ethylphosphonic acid
SMILESCC(c1ccc(F)cc1)(c1ccc(F)cc1)P(=O)(O)O
InChIInChI=1S/C14H13F2O3P/c1-14(20(17,18)19,10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9H,1H3,(H2,17,18,19)
InChIKeyZTPQDQSNMBNSLI-UHFFFAOYSA-N
XLogP3.41
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4'-Difluoro-1,1'-biphenyl
CID 9811
Benzhydrylphosphonic Acid
CID 195023
2,2'-Difluoro-1,1'-biphenyl
CID 123055
((4-(4-(4-(Difluoro-Phosphono-Methyl)-Phenyl)-Butyl)-Phenyl)-Difluoro-Methyl)-Phosphonic Acid
CID 446665
Bis(4-methylphenyl)phosphinic acid
CID 246527
2,4-Difluoro-1,1'-biphenyl
CID 169974
2-Methylbenzylphosphonic acid
CID 568918
(1-Phosphonato-4-{4-[4-(trifluoromethyl)phenyl]phenyl}butyl)phosphonate
CID 56947011
Tetrapotassium;dioxido-oxo-[1-phosphonato-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]-lambda5-phosphane
CID 25223962
[4-Biphenyl-4-yl-1-(hydroxy-methyl-phosphinoyl)-butyl]-phosphonic acid
CID 9999079
Dibenzylphosphinic acid
CID 561330
3,3'-Difluoro-1,1'-biphenyl
CID 123058

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-fluorophenyl)ethylphosphonic acid?
The IUPAC name of 1,1-bis(4-fluorophenyl)ethylphosphonic acid (CID 66796812) is 1,1-bis(4-fluorophenyl)ethylphosphonic acid.
What is the SMILES notation for 1,1-bis(4-fluorophenyl)ethylphosphonic acid?
The canonical SMILES for 1,1-bis(4-fluorophenyl)ethylphosphonic acid is CC(c1ccc(F)cc1)(c1ccc(F)cc1)P(=O)(O)O.
What is the InChIKey of 1,1-bis(4-fluorophenyl)ethylphosphonic acid?
The InChIKey is ZTPQDQSNMBNSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2O3P/c1-14(20(17,18)19,10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9H,1H3,(H2,17,18,19).
What are the key properties of 1,1-bis(4-fluorophenyl)ethylphosphonic acid?
1,1-bis(4-fluorophenyl)ethylphosphonic acid has a molecular weight of 298.23 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-fluorophenyl)ethylphosphonic acid is sourced from PubChem (CID 66796812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).