1-chloro-3-[5-(difluoromethyl)-2-iodophenyl]propan-2-one

C10H8ClF2IO — CID 170836922

IUPAC1-chloro-3-[5-(difluoromethyl)-2-iodophenyl]propan-2-one
SMILESO=C(CCl)Cc1cc(C(F)F)ccc1I
InChIInChI=1S/C10H8ClF2IO/c11-5-8(15)4-7-3-6(10(12)13)1-2-9(7)14/h1-3,10H,4-5H2
InChIKeyPMTVFORNIIKDNY-UHFFFAOYSA-N
MW344.53 g/mol
LogP3.58
Rot. Bonds4

About 1-chloro-3-[5-(difluoromethyl)-2-iodophenyl]propan-2-one

1-chloro-3-[5-(difluoromethyl)-2-iodophenyl]propan-2-one (PubChem CID 170836922) has the molecular formula C10H8ClF2IO and a molecular weight of 344.53 g/mol. Its IUPAC name is 1-chloro-3-[5-(difluoromethyl)-2-iodophenyl]propan-2-one.

Molecular Properties

Compound Name1-chloro-3-[5-(difluoromethyl)-2-iodophenyl]propan-2-one
PubChem CID170836922
Molecular FormulaC10H8ClF2IO
Molecular Weight344.53 g/mol
Exact Mass343.93
IUPAC Name1-chloro-3-[5-(difluoromethyl)-2-iodophenyl]propan-2-one
SMILESO=C(CCl)Cc1cc(C(F)F)ccc1I
InChIInChI=1S/C10H8ClF2IO/c11-5-8(15)4-7-3-6(10(12)13)1-2-9(7)14/h1-3,10H,4-5H2
InChIKeyPMTVFORNIIKDNY-UHFFFAOYSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chloro-3-[5-(difluoromethyl)-2-iodophenyl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3-chloro-2-oxopropyl)-4-(difluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134656721
1-chloro-3-(2-iodo-5-methylphenyl)propan-2-one
CID 130939127
1-bromo-3-[2-(chloromethyl)-4-(difluoromethyl)phenyl]propan-2-one
CID 131584651
2-[4-(3-chloro-2-oxopropyl)-3-(difluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118812674
2-[4-(bromomethyl)-3-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656277
1-chloro-3-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one
CID 170836550
1-(3-bromo-4-iodophenyl)-3-chloropropan-2-one
CID 118854825
1-chloro-3-[4-iodo-2-(trifluoromethylsulfanyl)phenyl]propan-2-one
CID 170836877
1-bromo-3-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one
CID 134616858
[5-(difluoromethyl)-2-methylphenyl]methanol
CID 84654342
methyl 3-[4-(difluoromethyl)-2-iodophenyl]propanoate
CID 134634691
2-chloro-1-[5-(difluoromethyl)-2-(trifluoromethoxy)phenyl]ethanone
CID 170998989

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[5-(difluoromethyl)-2-iodophenyl]propan-2-one?
The IUPAC name of 1-chloro-3-[5-(difluoromethyl)-2-iodophenyl]propan-2-one (CID 170836922) is 1-chloro-3-[5-(difluoromethyl)-2-iodophenyl]propan-2-one.
What is the SMILES notation for 1-chloro-3-[5-(difluoromethyl)-2-iodophenyl]propan-2-one?
The canonical SMILES for 1-chloro-3-[5-(difluoromethyl)-2-iodophenyl]propan-2-one is O=C(CCl)Cc1cc(C(F)F)ccc1I.
What is the InChIKey of 1-chloro-3-[5-(difluoromethyl)-2-iodophenyl]propan-2-one?
The InChIKey is PMTVFORNIIKDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2IO/c11-5-8(15)4-7-3-6(10(12)13)1-2-9(7)14/h1-3,10H,4-5H2.
What are the key properties of 1-chloro-3-[5-(difluoromethyl)-2-iodophenyl]propan-2-one?
1-chloro-3-[5-(difluoromethyl)-2-iodophenyl]propan-2-one has a molecular weight of 344.53 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[5-(difluoromethyl)-2-iodophenyl]propan-2-one is sourced from PubChem (CID 170836922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).