3-chloro-2-fluoro-6-iodobenzoyl chloride

C7H2Cl2FIO — CID 164895010

IUPAC3-chloro-2-fluoro-6-iodobenzoyl chloride
SMILESO=C(Cl)c1c(I)ccc(Cl)c1F
InChIInChI=1S/C7H2Cl2FIO/c8-3-1-2-4(11)5(6(3)10)7(9)12/h1-2H
InChIKeySQWUCMQHYIJYSL-UHFFFAOYSA-N
MW318.90 g/mol
LogP3.46
Rot. Bonds1

About 3-chloro-2-fluoro-6-iodobenzoyl chloride

3-chloro-2-fluoro-6-iodobenzoyl chloride (PubChem CID 164895010) has the molecular formula C7H2Cl2FIO and a molecular weight of 318.90 g/mol. Its IUPAC name is 3-chloro-2-fluoro-6-iodobenzoyl chloride.

Molecular Properties

Compound Name3-chloro-2-fluoro-6-iodobenzoyl chloride
PubChem CID164895010
Molecular FormulaC7H2Cl2FIO
Molecular Weight318.90 g/mol
Exact Mass317.85
IUPAC Name3-chloro-2-fluoro-6-iodobenzoyl chloride
SMILESO=C(Cl)c1c(I)ccc(Cl)c1F
InChIInChI=1S/C7H2Cl2FIO/c8-3-1-2-4(11)5(6(3)10)7(9)12/h1-2H
InChIKeySQWUCMQHYIJYSL-UHFFFAOYSA-N
XLogP3.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.90
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-2-fluoro-6-iodophenyl)ethanone
CID 164892714
6-bromo-3-chloro-2-fluorobenzoyl chloride
CID 83409619
6-chloro-2,3-difluorobenzoyl chloride
CID 50998364
6-chloro-3-iodo-2-methoxybenzoyl chloride
CID 171003173
1-chloro-2-fluoro-4-iodo-3-methylbenzene
CID 131011720
1-(3-chloro-2-hydroxy-6-iodophenyl)ethanone
CID 171008221
2-bromo-3-chloro-6-iodobenzoic acid
CID 131588144
4-chloro-3-iodobenzoyl chloride
CID 57349940
2-bromo-1-(2,3-dichloro-6-iodophenyl)ethanone
CID 171006521
1-chloro-3-ethyl-2-fluoro-4-iodobenzene
CID 164893690
2-chloro-3-fluoro-1,4-diiodobenzene
CID 118802327
2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride
CID 18764629

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-6-iodobenzoyl chloride?
The IUPAC name of 3-chloro-2-fluoro-6-iodobenzoyl chloride (CID 164895010) is 3-chloro-2-fluoro-6-iodobenzoyl chloride.
What is the SMILES notation for 3-chloro-2-fluoro-6-iodobenzoyl chloride?
The canonical SMILES for 3-chloro-2-fluoro-6-iodobenzoyl chloride is O=C(Cl)c1c(I)ccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-6-iodobenzoyl chloride?
The InChIKey is SQWUCMQHYIJYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2FIO/c8-3-1-2-4(11)5(6(3)10)7(9)12/h1-2H.
What are the key properties of 3-chloro-2-fluoro-6-iodobenzoyl chloride?
3-chloro-2-fluoro-6-iodobenzoyl chloride has a molecular weight of 318.90 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-6-iodobenzoyl chloride is sourced from PubChem (CID 164895010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).