1-chloro-5-(difluoromethyl)-2-iodo-4-methylbenzene

C8H6ClF2I — CID 70806772

IUPAC1-chloro-5-(difluoromethyl)-2-iodo-4-methylbenzene
SMILESCc1cc(I)c(Cl)cc1C(F)F
InChIInChI=1S/C8H6ClF2I/c1-4-2-7(12)6(9)3-5(4)8(10)11/h2-3,8H,1H3
InChIKeyTVVSQBYQGRYLSQ-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.19
Rot. Bonds1

About 1-chloro-5-(difluoromethyl)-2-iodo-4-methylbenzene

1-chloro-5-(difluoromethyl)-2-iodo-4-methylbenzene (PubChem CID 70806772) has the molecular formula C8H6ClF2I and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-chloro-5-(difluoromethyl)-2-iodo-4-methylbenzene.

Molecular Properties

Compound Name1-chloro-5-(difluoromethyl)-2-iodo-4-methylbenzene
PubChem CID70806772
Molecular FormulaC8H6ClF2I
Molecular Weight302.49 g/mol
Exact Mass301.92
IUPAC Name1-chloro-5-(difluoromethyl)-2-iodo-4-methylbenzene
SMILESCc1cc(I)c(Cl)cc1C(F)F
InChIInChI=1S/C8H6ClF2I/c1-4-2-7(12)6(9)3-5(4)8(10)11/h2-3,8H,1H3
InChIKeyTVVSQBYQGRYLSQ-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

2-chloro-4-(difluoromethyl)-5-methylbenzonitrile
CID 122646546
1-chloro-5-(difluoromethyl)-4-fluoro-2-methylbenzene
CID 130776793
1-bromo-5-(difluoromethyl)-4-iodo-2-methylbenzene
CID 171033406
5-chloro-1-(difluoromethyl)-2-iodo-3-methylbenzene
CID 171003499
2-chloro-3-(difluoromethyl)-6-iodo-5-methylpyridine
CID 119010207
5-chloro-4-iodo-2-methyl-N-propan-2-ylaniline
CID 145268853
4-(difluoromethyl)-5-methylbenzene-1,2-diamine
CID 171010491
1-chloro-4-(difluoromethyl)-2-fluoro-5-iodobenzene
CID 171003742
5-(difluoromethyl)-2-iodo-6-methyl-1-benzothiophene
CID 131091630
(5-chloro-4-iodo-2-methylphenyl)methanol
CID 171004062
5-chloro-4-(difluoromethyl)-2-methylphenol;ethane
CID 163241199
3-chloro-2-(difluoromethyl)-5-iodo-6-methylpyridine
CID 130073015

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-(difluoromethyl)-2-iodo-4-methylbenzene?
The IUPAC name of 1-chloro-5-(difluoromethyl)-2-iodo-4-methylbenzene (CID 70806772) is 1-chloro-5-(difluoromethyl)-2-iodo-4-methylbenzene.
What is the SMILES notation for 1-chloro-5-(difluoromethyl)-2-iodo-4-methylbenzene?
The canonical SMILES for 1-chloro-5-(difluoromethyl)-2-iodo-4-methylbenzene is Cc1cc(I)c(Cl)cc1C(F)F.
What is the InChIKey of 1-chloro-5-(difluoromethyl)-2-iodo-4-methylbenzene?
The InChIKey is TVVSQBYQGRYLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2I/c1-4-2-7(12)6(9)3-5(4)8(10)11/h2-3,8H,1H3.
What are the key properties of 1-chloro-5-(difluoromethyl)-2-iodo-4-methylbenzene?
1-chloro-5-(difluoromethyl)-2-iodo-4-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 1-chloro-5-(difluoromethyl)-2-iodo-4-methylbenzene is sourced from PubChem (CID 70806772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).