1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene

C14H12ClF — CID 130411639

IUPAC1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene
SMILESCc1cccc(Cc2ccccc2Cl)c1F
InChIInChI=1S/C14H12ClF/c1-10-5-4-7-12(14(10)16)9-11-6-2-3-8-13(11)15/h2-8H,9H2,1H3
InChIKeyMQKMUVOMFOTZBE-UHFFFAOYSA-N
MW234.70 g/mol
LogP4.38
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene

1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene (PubChem CID 130411639) has the molecular formula C14H12ClF and a molecular weight of 234.70 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene
PubChem CID130411639
Molecular FormulaC14H12ClF
Molecular Weight234.70 g/mol
Exact Mass234.06
IUPAC Name1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene
SMILESCc1cccc(Cc2ccccc2Cl)c1F
InChIInChI=1S/C14H12ClF/c1-10-5-4-7-12(14(10)16)9-11-6-2-3-8-13(11)15/h2-8H,9H2,1H3
InChIKeyMQKMUVOMFOTZBE-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.70
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[(2-chlorophenyl)methyl]-2-fluoro-3-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

4-chloro-2-[(2-chlorophenyl)methyl]-1-methylbenzene
CID 90782927
7-[(2-chlorophenyl)methyl]-3-methyl-1-benzothiophene
CID 23543580
1-(3-chloro-2-fluorophenyl)-3-(2-methylphenyl)propan-2-ol
CID 82803418
1-chloro-3-ethyl-2-fluorobenzene;1-methyl-2-(trifluoromethyl)benzene
CID 143923368
2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 102858638
1-chloro-2-fluoro-3-methylbenzene;diiodozinc
CID 174784139
2-fluoro-1-methyl-3-propylbenzene
CID 54557935
chloromethane;2-fluoro-1,3-dimethylbenzene
CID 144572529
1-(2,6-dichlorophenyl)-2-(2-methylphenyl)ethanol
CID 63016225
2,3-dichloro-1-[(2,3-dichlorophenyl)methyl]-4-methylbenzene
CID 14252253
2-amino-3-[(2-chlorophenyl)methyl]phenol
CID 105493756
N-(3-chloro-2-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 30929902

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene (CID 130411639) is 1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene is Cc1cccc(Cc2ccccc2Cl)c1F.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene?
The InChIKey is MQKMUVOMFOTZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF/c1-10-5-4-7-12(14(10)16)9-11-6-2-3-8-13(11)15/h2-8H,9H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene?
1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene has a molecular weight of 234.70 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene is sourced from PubChem (CID 130411639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).