2-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-difluorobenzene

C15H13ClF2 — CID 63542188

IUPAC2-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-difluorobenzene
SMILESCc1cccc(CC(Cl)c2c(F)cccc2F)c1
InChIInChI=1S/C15H13ClF2/c1-10-4-2-5-11(8-10)9-12(16)15-13(17)6-3-7-14(15)18/h2-8,12H,9H2,1H3
InChIKeyQFXUWMITLUULHN-UHFFFAOYSA-N
MW266.72 g/mol
LogP4.80
Rot. Bonds3

About 2-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-difluorobenzene

2-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-difluorobenzene (PubChem CID 63542188) has the molecular formula C15H13ClF2 and a molecular weight of 266.72 g/mol. Its IUPAC name is 2-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-difluorobenzene.

Molecular Properties

Compound Name2-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-difluorobenzene
PubChem CID63542188
Molecular FormulaC15H13ClF2
Molecular Weight266.72 g/mol
Exact Mass266.07
IUPAC Name2-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-difluorobenzene
SMILESCc1cccc(CC(Cl)c2c(F)cccc2F)c1
InChIInChI=1S/C15H13ClF2/c1-10-4-2-5-11(8-10)9-12(16)15-13(17)6-3-7-14(15)18/h2-8,12H,9H2,1H3
InChIKeyQFXUWMITLUULHN-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-difluorobenzene 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

2-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,3-difluorobenzene
CID 55225008
1-[1-chloro-2-(3-methylphenyl)ethyl]-3,5-difluorobenzene
CID 63542357
1-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-5-fluoro-4-methylbenzene
CID 81050258
2-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-difluoro-4-methylbenzene
CID 82815468
4-[1-chloro-2-(3-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene
CID 81284301
4-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-1-methylbenzene
CID 82890883
N-[1-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63526394
2-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-difluorobenzene
CID 55149547
2-[1-chloro-2-(3-chlorophenyl)ethyl]-1-fluoro-4-methylbenzene
CID 63543581
1-(2-chlorobutyl)-3-methylbenzene
CID 63016853
N-[1-(2-chloro-6-fluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63528128
2-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-difluoro-5-methoxybenzene
CID 63427344

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-difluorobenzene?
The IUPAC name of 2-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-difluorobenzene (CID 63542188) is 2-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-difluorobenzene.
What is the SMILES notation for 2-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-difluorobenzene?
The canonical SMILES for 2-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-difluorobenzene is Cc1cccc(CC(Cl)c2c(F)cccc2F)c1.
What is the InChIKey of 2-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-difluorobenzene?
The InChIKey is QFXUWMITLUULHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2/c1-10-4-2-5-11(8-10)9-12(16)15-13(17)6-3-7-14(15)18/h2-8,12H,9H2,1H3.
What are the key properties of 2-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-difluorobenzene?
2-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-difluorobenzene has a molecular weight of 266.72 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-difluorobenzene is sourced from PubChem (CID 63542188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).