5-chloro-2-[difluoro(phosphanyl)methoxy]benzoic acid

C8H6ClF2O3P — CID 167055994

IUPAC5-chloro-2-[difluoro(phosphanyl)methoxy]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1OC(F)(F)P
InChIInChI=1S/C8H6ClF2O3P/c9-4-1-2-6(14-8(10,11)15)5(3-4)7(12)13/h1-3H,15H2,(H,12,13)
InChIKeyDQXJBNLXVXXUCK-UHFFFAOYSA-N
MW254.56 g/mol
LogP2.84
Rot. Bonds3

About 5-chloro-2-[difluoro(phosphanyl)methoxy]benzoic acid

5-chloro-2-[difluoro(phosphanyl)methoxy]benzoic acid (PubChem CID 167055994) has the molecular formula C8H6ClF2O3P and a molecular weight of 254.56 g/mol. Its IUPAC name is 5-chloro-2-[difluoro(phosphanyl)methoxy]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[difluoro(phosphanyl)methoxy]benzoic acid
PubChem CID167055994
Molecular FormulaC8H6ClF2O3P
Molecular Weight254.56 g/mol
Exact Mass253.97
IUPAC Name5-chloro-2-[difluoro(phosphanyl)methoxy]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1OC(F)(F)P
InChIInChI=1S/C8H6ClF2O3P/c9-4-1-2-6(14-8(10,11)15)5(3-4)7(12)13/h1-3H,15H2,(H,12,13)
InChIKeyDQXJBNLXVXXUCK-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.56
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-2-[difluoro(phosphanyl)methoxy]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-1-[5-chloro-2-(trifluoromethoxy)phenyl]propan-1-one
CID 134619292
5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 103694050
5-chloro-2-ethoxybenzoic acid;tungsten
CID 58176486
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
5-chloro-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 66330074
5-chloro-2-(3,3-dimethylbutoxy)benzoic acid
CID 61379705
5-chloro-2-(2-oxopropoxy)benzoic acid
CID 9118654
5-chloro-2-(2-methylprop-2-enoyloxy)benzoic acid
CID 22095550
4-chloro-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 61379733
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid
CID 63459250
5-chloro-2-(4-iodophenoxy)benzoic acid
CID 63459076
5-chloro-2-propoxybenzoic acid;tungsten
CID 58176462

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[difluoro(phosphanyl)methoxy]benzoic acid?
The IUPAC name of 5-chloro-2-[difluoro(phosphanyl)methoxy]benzoic acid (CID 167055994) is 5-chloro-2-[difluoro(phosphanyl)methoxy]benzoic acid.
What is the SMILES notation for 5-chloro-2-[difluoro(phosphanyl)methoxy]benzoic acid?
The canonical SMILES for 5-chloro-2-[difluoro(phosphanyl)methoxy]benzoic acid is O=C(O)c1cc(Cl)ccc1OC(F)(F)P.
What is the InChIKey of 5-chloro-2-[difluoro(phosphanyl)methoxy]benzoic acid?
The InChIKey is DQXJBNLXVXXUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2O3P/c9-4-1-2-6(14-8(10,11)15)5(3-4)7(12)13/h1-3H,15H2,(H,12,13).
What are the key properties of 5-chloro-2-[difluoro(phosphanyl)methoxy]benzoic acid?
5-chloro-2-[difluoro(phosphanyl)methoxy]benzoic acid has a molecular weight of 254.56 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[difluoro(phosphanyl)methoxy]benzoic acid is sourced from PubChem (CID 167055994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).