1-chloro-2-(difluoromethyl)-4-fluoro-3-iodobenzene

C7H3ClF3I — CID 171004047

IUPAC1-chloro-2-(difluoromethyl)-4-fluoro-3-iodobenzene
SMILESFc1ccc(Cl)c(C(F)F)c1I
InChIInChI=1S/C7H3ClF3I/c8-3-1-2-4(9)6(12)5(3)7(10)11/h1-2,7H
InChIKeyWUUYZVSGFYPSMA-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.02
Rot. Bonds1

About 1-chloro-2-(difluoromethyl)-4-fluoro-3-iodobenzene

1-chloro-2-(difluoromethyl)-4-fluoro-3-iodobenzene (PubChem CID 171004047) has the molecular formula C7H3ClF3I and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-chloro-2-(difluoromethyl)-4-fluoro-3-iodobenzene.

Molecular Properties

Compound Name1-chloro-2-(difluoromethyl)-4-fluoro-3-iodobenzene
PubChem CID171004047
Molecular FormulaC7H3ClF3I
Molecular Weight306.45 g/mol
Exact Mass305.89
IUPAC Name1-chloro-2-(difluoromethyl)-4-fluoro-3-iodobenzene
SMILESFc1ccc(Cl)c(C(F)F)c1I
InChIInChI=1S/C7H3ClF3I/c8-3-1-2-4(9)6(12)5(3)7(10)11/h1-2,7H
InChIKeyWUUYZVSGFYPSMA-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-(difluoromethyl)-4-fluoro-3-methylbenzene
CID 130863176
3-bromo-1-chloro-2-(difluoromethyl)-4-fluorobenzene
CID 119013054
1,5-dichloro-2-(difluoromethyl)-3-fluorobenzene
CID 119004483
5-chloro-4-(difluoromethyl)-2,3-diiodopyridine
CID 130100430
5-chloro-3-(difluoromethyl)-2-fluoro-4-iodopyridine
CID 130071565
2,4-dichloro-3-(difluoromethyl)-6-iodopyridine
CID 118998644
4-chloro-3-(difluoromethyl)-2-fluorobenzoic acid
CID 163198095
2-(1-bromoethyl)-1,3-dichloro-4-fluorobenzene
CID 54578784
2-chloro-1-(difluoromethyl)naphthalene
CID 119014029
(1S)-1-(2,3-dichloro-6-fluorophenyl)-2,2-difluoroethanamine
CID 130607724
1-(6-chloro-2,3-difluorophenyl)ethanamine
CID 130512093
2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene
CID 134625949

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(difluoromethyl)-4-fluoro-3-iodobenzene?
The IUPAC name of 1-chloro-2-(difluoromethyl)-4-fluoro-3-iodobenzene (CID 171004047) is 1-chloro-2-(difluoromethyl)-4-fluoro-3-iodobenzene.
What is the SMILES notation for 1-chloro-2-(difluoromethyl)-4-fluoro-3-iodobenzene?
The canonical SMILES for 1-chloro-2-(difluoromethyl)-4-fluoro-3-iodobenzene is Fc1ccc(Cl)c(C(F)F)c1I.
What is the InChIKey of 1-chloro-2-(difluoromethyl)-4-fluoro-3-iodobenzene?
The InChIKey is WUUYZVSGFYPSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3I/c8-3-1-2-4(9)6(12)5(3)7(10)11/h1-2,7H.
What are the key properties of 1-chloro-2-(difluoromethyl)-4-fluoro-3-iodobenzene?
1-chloro-2-(difluoromethyl)-4-fluoro-3-iodobenzene has a molecular weight of 306.45 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(difluoromethyl)-4-fluoro-3-iodobenzene is sourced from PubChem (CID 171004047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).