1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene

C8H7ClF2 — CID 131118728

IUPAC1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene
SMILESCc1cc(Cl)c(CF)cc1F
InChIInChI=1S/C8H7ClF2/c1-5-2-7(9)6(4-10)3-8(5)11/h2-3H,4H2,1H3
InChIKeyOODSRYMYANXEBB-UHFFFAOYSA-N
MW176.59 g/mol
LogP3.26
Rot. Bonds1

About 1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene

1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene (PubChem CID 131118728) has the molecular formula C8H7ClF2 and a molecular weight of 176.59 g/mol. Its IUPAC name is 1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene.

Molecular Properties

Compound Name1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene
PubChem CID131118728
Molecular FormulaC8H7ClF2
Molecular Weight176.59 g/mol
Exact Mass176.02
IUPAC Name1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene
SMILESCc1cc(Cl)c(CF)cc1F
InChIInChI=1S/C8H7ClF2/c1-5-2-7(9)6(4-10)3-8(5)11/h2-3H,4H2,1H3
InChIKeyOODSRYMYANXEBB-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.59
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene 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

1-chloro-2-fluoro-4-(fluoromethyl)-5-methylbenzene
CID 130952745
(2-chloro-5-fluoro-4-methylphenyl)methylhydrazine
CID 116932376
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
[(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol
CID 115229083
N-(bromomethyl)-1-(2-chloro-5-fluoro-4-methylphenyl)-N-methylmethanamine
CID 115262157
3-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-1-amine
CID 116924706
1,2-difluoro-4-(fluoromethyl)-5-methylbenzene
CID 130909757
4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylbutan-1-amine
CID 116924844
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]carbamoyl bromide
CID 115193690
1-chloro-4-(chloromethyl)-2-fluoro-5-methylbenzene
CID 131117181
2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid
CID 119005832
2-chloro-5-fluoro-4-methylbenzenethiol
CID 91874485

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene?
The IUPAC name of 1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene (CID 131118728) is 1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene.
What is the SMILES notation for 1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene?
The canonical SMILES for 1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene is Cc1cc(Cl)c(CF)cc1F.
What is the InChIKey of 1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene?
The InChIKey is OODSRYMYANXEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2/c1-5-2-7(9)6(4-10)3-8(5)11/h2-3H,4H2,1H3.
What are the key properties of 1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene?
1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene has a molecular weight of 176.59 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene is sourced from PubChem (CID 131118728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).