3-(2,5-dichlorophenyl)-4-fluorobenzoyl chloride

C13H6Cl3FO — CID 134618190

IUPAC3-(2,5-dichlorophenyl)-4-fluorobenzoyl chloride
SMILESO=C(Cl)c1ccc(F)c(-c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H6Cl3FO/c14-8-2-3-11(15)9(6-8)10-5-7(13(16)18)1-4-12(10)17/h1-6H
InChIKeyNSWDHTWRELJHLA-UHFFFAOYSA-N
MW303.55 g/mol
LogP5.18
Rot. Bonds2

About 3-(2,5-dichlorophenyl)-4-fluorobenzoyl chloride

3-(2,5-dichlorophenyl)-4-fluorobenzoyl chloride (PubChem CID 134618190) has the molecular formula C13H6Cl3FO and a molecular weight of 303.55 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-4-fluorobenzoyl chloride.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-4-fluorobenzoyl chloride
PubChem CID134618190
Molecular FormulaC13H6Cl3FO
Molecular Weight303.55 g/mol
Exact Mass301.95
IUPAC Name3-(2,5-dichlorophenyl)-4-fluorobenzoyl chloride
SMILESO=C(Cl)c1ccc(F)c(-c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H6Cl3FO/c14-8-2-3-11(15)9(6-8)10-5-7(13(16)18)1-4-12(10)17/h1-6H
InChIKeyNSWDHTWRELJHLA-UHFFFAOYSA-N
XLogP5.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.55
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid
CID 53225503
4-chloro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134630869
4-fluorobenzene-1,3-dicarbonyl chloride
CID 21419886
3-fluoro-4-(trifluoromethyl)benzoyl chloride
CID 2734709
5-chloro-2-fluorobenzoyl chloride
CID 2773604
biphenylene-2,7-dicarbonyl chloride
CID 59041868
1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 134618163
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338246
4-(5-chloro-2-fluorophenyl)-3-hydroxybenzamide
CID 169452582
4-chloro-3-(5-chloro-2-methoxyphenyl)benzoic acid
CID 53227581
3-(2,5-dichlorophenyl)-4-methoxybenzoic acid
CID 54912392
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-4-fluorobenzoyl chloride?
The IUPAC name of 3-(2,5-dichlorophenyl)-4-fluorobenzoyl chloride (CID 134618190) is 3-(2,5-dichlorophenyl)-4-fluorobenzoyl chloride.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-4-fluorobenzoyl chloride?
The canonical SMILES for 3-(2,5-dichlorophenyl)-4-fluorobenzoyl chloride is O=C(Cl)c1ccc(F)c(-c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 3-(2,5-dichlorophenyl)-4-fluorobenzoyl chloride?
The InChIKey is NSWDHTWRELJHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3FO/c14-8-2-3-11(15)9(6-8)10-5-7(13(16)18)1-4-12(10)17/h1-6H.
What are the key properties of 3-(2,5-dichlorophenyl)-4-fluorobenzoyl chloride?
3-(2,5-dichlorophenyl)-4-fluorobenzoyl chloride has a molecular weight of 303.55 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-4-fluorobenzoyl chloride is sourced from PubChem (CID 134618190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).