2-fluoro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride

C14H7ClF4O — CID 134620153

IUPAC2-fluoro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride
SMILESO=C(Cl)c1cccc(-c2ccccc2C(F)(F)F)c1F
InChIInChI=1S/C14H7ClF4O/c15-13(20)10-6-3-5-9(12(10)16)8-4-1-2-7-11(8)14(17,18)19/h1-7H
InChIKeyQPUKKNSEPHNOFA-UHFFFAOYSA-N
MW302.65 g/mol
LogP4.89
Rot. Bonds2

About 2-fluoro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride

2-fluoro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride (PubChem CID 134620153) has the molecular formula C14H7ClF4O and a molecular weight of 302.65 g/mol. Its IUPAC name is 2-fluoro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride.

Molecular Properties

Compound Name2-fluoro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride
PubChem CID134620153
Molecular FormulaC14H7ClF4O
Molecular Weight302.65 g/mol
Exact Mass302.01
IUPAC Name2-fluoro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride
SMILESO=C(Cl)c1cccc(-c2ccccc2C(F)(F)F)c1F
InChIInChI=1S/C14H7ClF4O/c15-13(20)10-6-3-5-9(12(10)16)8-4-1-2-7-11(8)14(17,18)19/h1-7H
InChIKeyQPUKKNSEPHNOFA-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.65
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride?
The IUPAC name of 2-fluoro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride (CID 134620153) is 2-fluoro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride.
What is the SMILES notation for 2-fluoro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride?
The canonical SMILES for 2-fluoro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride is O=C(Cl)c1cccc(-c2ccccc2C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride?
The InChIKey is QPUKKNSEPHNOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF4O/c15-13(20)10-6-3-5-9(12(10)16)8-4-1-2-7-11(8)14(17,18)19/h1-7H.
What are the key properties of 2-fluoro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride?
2-fluoro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride has a molecular weight of 302.65 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride is sourced from PubChem (CID 134620153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).