5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(trifluoromethyl)benzoyl chloride

C14H9ClF4N2O — CID 135376328

IUPAC5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(trifluoromethyl)benzoyl chloride
SMILESO=C(Cl)c1cc(-n2cnc(C3CC3)c2)c(C(F)(F)F)cc1F
InChIInChI=1S/C14H9ClF4N2O/c15-13(22)8-3-12(9(4-10(8)16)14(17,18)19)21-5-11(20-6-21)7-1-2-7/h3-7H,1-2H2
InChIKeyFAAGXZXYYWZFLP-UHFFFAOYSA-N
MW332.68 g/mol
LogP4.29
Rot. Bonds3

About 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(trifluoromethyl)benzoyl chloride

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(trifluoromethyl)benzoyl chloride (PubChem CID 135376328) has the molecular formula C14H9ClF4N2O and a molecular weight of 332.68 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(trifluoromethyl)benzoyl chloride.

Molecular Properties

Compound Name5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(trifluoromethyl)benzoyl chloride
PubChem CID135376328
Molecular FormulaC14H9ClF4N2O
Molecular Weight332.68 g/mol
Exact Mass332.03
IUPAC Name5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(trifluoromethyl)benzoyl chloride
SMILESO=C(Cl)c1cc(-n2cnc(C3CC3)c2)c(C(F)(F)F)cc1F
InChIInChI=1S/C14H9ClF4N2O/c15-13(22)8-3-12(9(4-10(8)16)14(17,18)19)21-5-11(20-6-21)7-1-2-7/h3-7H,1-2H2
InChIKeyFAAGXZXYYWZFLP-UHFFFAOYSA-N
XLogP4.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.68
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-cyclobutylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride
CID 155049483
methyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoate
CID 130343964
butyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoate
CID 121445210
5-(4-cyclopropylimidazol-1-yl)-N-[6-[(5R)-5-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride
CID 158719230
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide
CID 142417497
1-(4-bromo-2-fluorophenyl)-4-cyclopropylimidazole
CID 168993364
methyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-phenylmethoxybenzoate
CID 146320222
4-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carbonyl chloride
CID 142499957
5-(4-cyclopropylimidazol-1-yl)-N-[6-(dihydrazinylmethyl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
CID 142472118
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 159386012
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 159386013
3-(4-cyclopropylimidazol-1-yl)-5-fluoropyridin-2-amine
CID 175797549

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(trifluoromethyl)benzoyl chloride?
The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(trifluoromethyl)benzoyl chloride (CID 135376328) is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(trifluoromethyl)benzoyl chloride.
What is the SMILES notation for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(trifluoromethyl)benzoyl chloride?
The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(trifluoromethyl)benzoyl chloride is O=C(Cl)c1cc(-n2cnc(C3CC3)c2)c(C(F)(F)F)cc1F.
What is the InChIKey of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(trifluoromethyl)benzoyl chloride?
The InChIKey is FAAGXZXYYWZFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4N2O/c15-13(22)8-3-12(9(4-10(8)16)14(17,18)19)21-5-11(20-6-21)7-1-2-7/h3-7H,1-2H2.
What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(trifluoromethyl)benzoyl chloride?
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(trifluoromethyl)benzoyl chloride has a molecular weight of 332.68 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(trifluoromethyl)benzoyl chloride is sourced from PubChem (CID 135376328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).