[(2-chlorophenyl)-difluoromethyl]phosphonic acid

C7H6ClF2O3P — CID 91535582

IUPAC[(2-chlorophenyl)-difluoromethyl]phosphonic acid
SMILESO=P(O)(O)C(F)(F)c1ccccc1Cl
InChIInChI=1S/C7H6ClF2O3P/c8-6-4-2-1-3-5(6)7(9,10)14(11,12)13/h1-4H,(H2,11,12,13)
InChIKeyXLVIEMCNTPJYAY-UHFFFAOYSA-N
MW242.55 g/mol
LogP2.57
Rot. Bonds2

About [(2-chlorophenyl)-difluoromethyl]phosphonic acid

[(2-chlorophenyl)-difluoromethyl]phosphonic acid (PubChem CID 91535582) has the molecular formula C7H6ClF2O3P and a molecular weight of 242.55 g/mol. Its IUPAC name is [(2-chlorophenyl)-difluoromethyl]phosphonic acid.

Molecular Properties

Compound Name[(2-chlorophenyl)-difluoromethyl]phosphonic acid
PubChem CID91535582
Molecular FormulaC7H6ClF2O3P
Molecular Weight242.55 g/mol
Exact Mass241.97
IUPAC Name[(2-chlorophenyl)-difluoromethyl]phosphonic acid
SMILESO=P(O)(O)C(F)(F)c1ccccc1Cl
InChIInChI=1S/C7H6ClF2O3P/c8-6-4-2-1-3-5(6)7(9,10)14(11,12)13/h1-4H,(H2,11,12,13)
InChIKeyXLVIEMCNTPJYAY-UHFFFAOYSA-N
XLogP2.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.55
LogP ≤ 52.57
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

1-chloro-2-(trifluoromethyl)benzene
CID 161495124
1-chloro-2-[(2-chlorophenyl)-difluoromethyl]benzene
CID 22023801
1-chloro-2-(trifluoromethyl)benzene
CID 6921
2-(2-chlorophenyl)-2,2-difluoroacetyl fluoride
CID 118255532
1-[bromo(difluoro)methyl]-2-chlorobenzene
CID 58133508
sodium;1-chloro-2-(trifluoromethyl)benzene;hydride
CID 175454034
[(2-bromo-3-methylphenyl)-difluoromethyl]phosphonic acid
CID 11652357
3-(2-chlorophenyl)-3-fluoro-2-methylbutanoic acid
CID 105488759
1-chloro-2-(trichloromethyl)benzene
CID 16494
1-chloro-2-[1-(2-chlorophenyl)-1,2,2,3,3,3-hexafluoropropyl]benzene
CID 22336549
1-chloro-2-(trichloromethyl)benzene;hydrofluoride
CID 21414937
2-(2-chlorophenyl)propan-2-ol
CID 12759846

Frequently Asked Questions

What is the IUPAC name of [(2-chlorophenyl)-difluoromethyl]phosphonic acid?
The IUPAC name of [(2-chlorophenyl)-difluoromethyl]phosphonic acid (CID 91535582) is [(2-chlorophenyl)-difluoromethyl]phosphonic acid.
What is the SMILES notation for [(2-chlorophenyl)-difluoromethyl]phosphonic acid?
The canonical SMILES for [(2-chlorophenyl)-difluoromethyl]phosphonic acid is O=P(O)(O)C(F)(F)c1ccccc1Cl.
What is the InChIKey of [(2-chlorophenyl)-difluoromethyl]phosphonic acid?
The InChIKey is XLVIEMCNTPJYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2O3P/c8-6-4-2-1-3-5(6)7(9,10)14(11,12)13/h1-4H,(H2,11,12,13).
What are the key properties of [(2-chlorophenyl)-difluoromethyl]phosphonic acid?
[(2-chlorophenyl)-difluoromethyl]phosphonic acid has a molecular weight of 242.55 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chlorophenyl)-difluoromethyl]phosphonic acid is sourced from PubChem (CID 91535582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).