3-fluoro-5-(fluoromethyl)benzoyl chloride

C8H5ClF2O — CID 170750733

IUPAC3-fluoro-5-(fluoromethyl)benzoyl chloride
SMILESO=C(Cl)c1cc(F)cc(CF)c1
InChIInChI=1S/C8H5ClF2O/c9-8(12)6-1-5(4-10)2-7(11)3-6/h1-3H,4H2
InChIKeyIUGHWXRPRBYZFI-UHFFFAOYSA-N
MW190.58 g/mol
LogP2.67
Rot. Bonds2

About 3-fluoro-5-(fluoromethyl)benzoyl chloride

3-fluoro-5-(fluoromethyl)benzoyl chloride (PubChem CID 170750733) has the molecular formula C8H5ClF2O and a molecular weight of 190.58 g/mol. Its IUPAC name is 3-fluoro-5-(fluoromethyl)benzoyl chloride.

Molecular Properties

Compound Name3-fluoro-5-(fluoromethyl)benzoyl chloride
PubChem CID170750733
Molecular FormulaC8H5ClF2O
Molecular Weight190.58 g/mol
Exact Mass190.00
IUPAC Name3-fluoro-5-(fluoromethyl)benzoyl chloride
SMILESO=C(Cl)c1cc(F)cc(CF)c1
InChIInChI=1S/C8H5ClF2O/c9-8(12)6-1-5(4-10)2-7(11)3-6/h1-3H,4H2
InChIKeyIUGHWXRPRBYZFI-UHFFFAOYSA-N
XLogP2.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.58
LogP ≤ 52.67
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 3-fluoro-5-(fluoromethyl)benzoyl chloride?
The IUPAC name of 3-fluoro-5-(fluoromethyl)benzoyl chloride (CID 170750733) is 3-fluoro-5-(fluoromethyl)benzoyl chloride.
What is the SMILES notation for 3-fluoro-5-(fluoromethyl)benzoyl chloride?
The canonical SMILES for 3-fluoro-5-(fluoromethyl)benzoyl chloride is O=C(Cl)c1cc(F)cc(CF)c1.
What is the InChIKey of 3-fluoro-5-(fluoromethyl)benzoyl chloride?
The InChIKey is IUGHWXRPRBYZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2O/c9-8(12)6-1-5(4-10)2-7(11)3-6/h1-3H,4H2.
What are the key properties of 3-fluoro-5-(fluoromethyl)benzoyl chloride?
3-fluoro-5-(fluoromethyl)benzoyl chloride has a molecular weight of 190.58 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(fluoromethyl)benzoyl chloride is sourced from PubChem (CID 170750733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).