5-chloro-1-(difluoromethyl)-2-iodo-3-methylbenzene

C8H6ClF2I — CID 171003499

IUPAC5-chloro-1-(difluoromethyl)-2-iodo-3-methylbenzene
SMILESCc1cc(Cl)cc(C(F)F)c1I
InChIInChI=1S/C8H6ClF2I/c1-4-2-5(9)3-6(7(4)12)8(10)11/h2-3,8H,1H3
InChIKeyJDBXDIFRHXFTRB-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.19
Rot. Bonds1

About 5-chloro-1-(difluoromethyl)-2-iodo-3-methylbenzene

5-chloro-1-(difluoromethyl)-2-iodo-3-methylbenzene (PubChem CID 171003499) has the molecular formula C8H6ClF2I and a molecular weight of 302.49 g/mol. Its IUPAC name is 5-chloro-1-(difluoromethyl)-2-iodo-3-methylbenzene.

Molecular Properties

Compound Name5-chloro-1-(difluoromethyl)-2-iodo-3-methylbenzene
PubChem CID171003499
Molecular FormulaC8H6ClF2I
Molecular Weight302.49 g/mol
Exact Mass301.92
IUPAC Name5-chloro-1-(difluoromethyl)-2-iodo-3-methylbenzene
SMILESCc1cc(Cl)cc(C(F)F)c1I
InChIInChI=1S/C8H6ClF2I/c1-4-2-5(9)3-6(7(4)12)8(10)11/h2-3,8H,1H3
InChIKeyJDBXDIFRHXFTRB-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[5-chloro-3-(difluoromethyl)-2-iodophenyl]ethanone
CID 171009758
1-chloro-5-(difluoromethyl)-2-iodo-4-methylbenzene
CID 70806772
2,5-dichloro-1-methyl-3-propan-2-ylbenzene;ethane
CID 155706977
2-chloro-3-(difluoromethyl)-6-iodo-5-methylpyridine
CID 119010207
1-(5-chloro-2-iodo-3-methylphenyl)ethanone
CID 171003749
1-chloro-5-(difluoromethyl)-4-fluoro-2-methylbenzene
CID 130776793
5-chloro-1-(difluoromethyl)-3-iodo-2-nitrobenzene
CID 171004954
6-bromo-2-chloro-4-(difluoromethyl)-3-iodopyridine
CID 130107870
7-(difluoromethyl)-4-iodo-5-methyl-1-benzothiophene
CID 131215693
3-(5-chloro-2-fluoro-3-methylphenyl)butan-1-amine
CID 84784490
4-(difluoromethyl)-3-iodo-6-methylpyridine-2-carbonyl chloride
CID 118829473
4-chloro-2-(difluoromethyl)-1-methylbenzene;1-(difluoromethyl)-4-fluoro-2-methylbenzene;ethane
CID 143887999

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(difluoromethyl)-2-iodo-3-methylbenzene?
The IUPAC name of 5-chloro-1-(difluoromethyl)-2-iodo-3-methylbenzene (CID 171003499) is 5-chloro-1-(difluoromethyl)-2-iodo-3-methylbenzene.
What is the SMILES notation for 5-chloro-1-(difluoromethyl)-2-iodo-3-methylbenzene?
The canonical SMILES for 5-chloro-1-(difluoromethyl)-2-iodo-3-methylbenzene is Cc1cc(Cl)cc(C(F)F)c1I.
What is the InChIKey of 5-chloro-1-(difluoromethyl)-2-iodo-3-methylbenzene?
The InChIKey is JDBXDIFRHXFTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2I/c1-4-2-5(9)3-6(7(4)12)8(10)11/h2-3,8H,1H3.
What are the key properties of 5-chloro-1-(difluoromethyl)-2-iodo-3-methylbenzene?
5-chloro-1-(difluoromethyl)-2-iodo-3-methylbenzene has a molecular weight of 302.49 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(difluoromethyl)-2-iodo-3-methylbenzene is sourced from PubChem (CID 171003499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).