5-chloro-4-fluoro-2-iodobenzoyl chloride

C7H2Cl2FIO — CID 171003642

IUPAC5-chloro-4-fluoro-2-iodobenzoyl chloride
SMILESO=C(Cl)c1cc(Cl)c(F)cc1I
InChIInChI=1S/C7H2Cl2FIO/c8-4-1-3(7(9)12)6(11)2-5(4)10/h1-2H
InChIKeyCRMXGSNBFXGKFS-UHFFFAOYSA-N
MW318.90 g/mol
LogP3.46
Rot. Bonds1

About 5-chloro-4-fluoro-2-iodobenzoyl chloride

5-chloro-4-fluoro-2-iodobenzoyl chloride (PubChem CID 171003642) has the molecular formula C7H2Cl2FIO and a molecular weight of 318.90 g/mol. Its IUPAC name is 5-chloro-4-fluoro-2-iodobenzoyl chloride.

Molecular Properties

Compound Name5-chloro-4-fluoro-2-iodobenzoyl chloride
PubChem CID171003642
Molecular FormulaC7H2Cl2FIO
Molecular Weight318.90 g/mol
Exact Mass317.85
IUPAC Name5-chloro-4-fluoro-2-iodobenzoyl chloride
SMILESO=C(Cl)c1cc(Cl)c(F)cc1I
InChIInChI=1S/C7H2Cl2FIO/c8-4-1-3(7(9)12)6(11)2-5(4)10/h1-2H
InChIKeyCRMXGSNBFXGKFS-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

4-chloro-5-fluoro-2-(trifluoromethyl)benzoyl chloride
CID 171009076
4,5-difluoro-2-iodobenzoic acid
CID 14997472
1-bromo-5-chloro-4-fluoro-2-iodobenzene
CID 50998080
5-chloro-2-fluorobenzoyl chloride
CID 2773604
5-bromo-2-chloro-4-fluorobenzoyl chloride
CID 89086385
1-chloro-4,5-difluoro-2-iodobenzene
CID 56965571
2-chloro-5-fluoro-4-(2,3,4,5,6-pentachlorophenyl)benzoyl chloride
CID 134629641
2-(4-chloro-2,5-difluorophenyl)-2-oxoacetic acid
CID 117314948
(2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 107475698
sodium;2,4-dichloro-5-fluorobenzoic acid;hydride
CID 174763775
(4-chloro-5-fluoro-2-iodophenyl)methanamine
CID 171016038
3-chloro-2-fluoro-6-iodobenzoyl chloride
CID 164895010

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-2-iodobenzoyl chloride?
The IUPAC name of 5-chloro-4-fluoro-2-iodobenzoyl chloride (CID 171003642) is 5-chloro-4-fluoro-2-iodobenzoyl chloride.
What is the SMILES notation for 5-chloro-4-fluoro-2-iodobenzoyl chloride?
The canonical SMILES for 5-chloro-4-fluoro-2-iodobenzoyl chloride is O=C(Cl)c1cc(Cl)c(F)cc1I.
What is the InChIKey of 5-chloro-4-fluoro-2-iodobenzoyl chloride?
The InChIKey is CRMXGSNBFXGKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2FIO/c8-4-1-3(7(9)12)6(11)2-5(4)10/h1-2H.
What are the key properties of 5-chloro-4-fluoro-2-iodobenzoyl chloride?
5-chloro-4-fluoro-2-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 5-chloro-4-fluoro-2-iodobenzoyl chloride is sourced from PubChem (CID 171003642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).