1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene

C15H14ClF — CID 63543185

IUPAC1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
SMILESCc1ccccc1C(Cl)Cc1ccccc1F
InChIInChI=1S/C15H14ClF/c1-11-6-2-4-8-13(11)14(16)10-12-7-3-5-9-15(12)17/h2-9,14H,10H2,1H3
InChIKeyNFWDTEKKTLSAKQ-UHFFFAOYSA-N
MW248.73 g/mol
LogP4.66
Rot. Bonds3

About 1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene

1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene (PubChem CID 63543185) has the molecular formula C15H14ClF and a molecular weight of 248.73 g/mol. Its IUPAC name is 1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
PubChem CID63543185
Molecular FormulaC15H14ClF
Molecular Weight248.73 g/mol
Exact Mass248.08
IUPAC Name1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
SMILESCc1ccccc1C(Cl)Cc1ccccc1F
InChIInChI=1S/C15H14ClF/c1-11-6-2-4-8-13(11)14(16)10-12-7-3-5-9-15(12)17/h2-9,14H,10H2,1H3
InChIKeyNFWDTEKKTLSAKQ-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 55026735
4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63542318
1-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-fluoro-3-methylbenzene
CID 81479380
1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene
CID 63434643
2-[1-chloro-2-(2-fluorophenyl)ethyl]-5-methylthiophene
CID 61082521
1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene
CID 113396019
1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 113396989
2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 63433987
2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene
CID 79996776
4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran
CID 114822972
2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-methoxybenzene
CID 63434335
5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene
CID 55223503

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene?
The IUPAC name of 1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene (CID 63543185) is 1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene.
What is the SMILES notation for 1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene?
The canonical SMILES for 1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene is Cc1ccccc1C(Cl)Cc1ccccc1F.
What is the InChIKey of 1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene?
The InChIKey is NFWDTEKKTLSAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF/c1-11-6-2-4-8-13(11)14(16)10-12-7-3-5-9-15(12)17/h2-9,14H,10H2,1H3.
What are the key properties of 1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene?
1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene has a molecular weight of 248.73 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene is sourced from PubChem (CID 63543185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).