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

C8H6ClF3 — CID 130863176

IUPAC1-chloro-2-(difluoromethyl)-4-fluoro-3-methylbenzene
SMILESCc1c(F)ccc(Cl)c1C(F)F
InChIInChI=1S/C8H6ClF3/c1-4-6(10)3-2-5(9)7(4)8(11)12/h2-3,8H,1H3
InChIKeyDRQBBGMSVMLUDV-UHFFFAOYSA-N
MW194.58 g/mol
LogP3.73
Rot. Bonds1

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

1-chloro-2-(difluoromethyl)-4-fluoro-3-methylbenzene (PubChem CID 130863176) has the molecular formula C8H6ClF3 and a molecular weight of 194.58 g/mol. Its IUPAC name is 1-chloro-2-(difluoromethyl)-4-fluoro-3-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-(difluoromethyl)-4-fluoro-3-methylbenzene
PubChem CID130863176
Molecular FormulaC8H6ClF3
Molecular Weight194.58 g/mol
Exact Mass194.01
IUPAC Name1-chloro-2-(difluoromethyl)-4-fluoro-3-methylbenzene
SMILESCc1c(F)ccc(Cl)c1C(F)F
InChIInChI=1S/C8H6ClF3/c1-4-6(10)3-2-5(9)7(4)8(11)12/h2-3,8H,1H3
InChIKeyDRQBBGMSVMLUDV-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.58
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(difluoromethyl)-1-fluoro-2,4-dimethylbenzene
CID 131096553
1-chloro-2-(difluoromethyl)-4-fluoro-3-iodobenzene
CID 171004047
3-bromo-1-chloro-2-(difluoromethyl)-4-fluorobenzene
CID 119013054
1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene
CID 130836038
1,3-dichloro-4-fluoro-2-methylbenzene
CID 11830014
1,5-dichloro-2-(difluoromethyl)-3-fluorobenzene
CID 119004483
3-chloro-1-(difluoromethyl)-4-fluoro-2-methylbenzene
CID 130776741
1-(6-chloro-2,3-difluorophenyl)ethanamine
CID 130512093
2-(1-bromoethyl)-1,3-dichloro-4-fluorobenzene
CID 54578784
(6-chloro-3-fluoro-2-methylphenyl)methanol
CID 130839356
1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785778
2-(6-chloro-2,3-difluorophenyl)propanoic acid
CID 130512139

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(difluoromethyl)-4-fluoro-3-methylbenzene?
The IUPAC name of 1-chloro-2-(difluoromethyl)-4-fluoro-3-methylbenzene (CID 130863176) is 1-chloro-2-(difluoromethyl)-4-fluoro-3-methylbenzene.
What is the SMILES notation for 1-chloro-2-(difluoromethyl)-4-fluoro-3-methylbenzene?
The canonical SMILES for 1-chloro-2-(difluoromethyl)-4-fluoro-3-methylbenzene is Cc1c(F)ccc(Cl)c1C(F)F.
What is the InChIKey of 1-chloro-2-(difluoromethyl)-4-fluoro-3-methylbenzene?
The InChIKey is DRQBBGMSVMLUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3/c1-4-6(10)3-2-5(9)7(4)8(11)12/h2-3,8H,1H3.
What are the key properties of 1-chloro-2-(difluoromethyl)-4-fluoro-3-methylbenzene?
1-chloro-2-(difluoromethyl)-4-fluoro-3-methylbenzene has a molecular weight of 194.58 g/mol, XLogP of 3.73, 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-methylbenzene is sourced from PubChem (CID 130863176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).