1-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene

C16H16ClF — CID 55225396

IUPAC1-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(C(Cl)Cc2cccc(F)c2)c1
InChIInChI=1S/C16H16ClF/c1-11-6-12(2)8-14(7-11)16(17)10-13-4-3-5-15(18)9-13/h3-9,16H,10H2,1-2H3
InChIKeyDIGGTCBGYNPRRQ-UHFFFAOYSA-N
MW262.75 g/mol
LogP4.97
Rot. Bonds3

About 1-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene

1-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene (PubChem CID 55225396) has the molecular formula C16H16ClF and a molecular weight of 262.75 g/mol. Its IUPAC name is 1-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene
PubChem CID55225396
Molecular FormulaC16H16ClF
Molecular Weight262.75 g/mol
Exact Mass262.09
IUPAC Name1-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(C(Cl)Cc2cccc(F)c2)c1
InChIInChI=1S/C16H16ClF/c1-11-6-12(2)8-14(7-11)16(17)10-13-4-3-5-15(18)9-13/h3-9,16H,10H2,1-2H3
InChIKeyDIGGTCBGYNPRRQ-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.75
LogP ≤ 54.97
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

1-[1-chloro-2-(3-methylphenyl)ethyl]-3,5-difluorobenzene
CID 63542357
1-[1-chloro-2-(3-fluorophenyl)ethyl]-3-methoxybenzene
CID 63016090
2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene
CID 63542658
1-[1-chloro-2-(3-fluorophenyl)ethyl]-4-propan-2-yloxybenzene
CID 63432780
2-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-difluoro-4-methylbenzene
CID 82815468
2-[1-chloro-2-(3-fluorophenyl)ethyl]furan
CID 63016663
5-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 61085159
1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene
CID 113396019
1-bromo-2-[1-chloro-2-(3-fluorophenyl)ethyl]-4-fluorobenzene
CID 63543533
1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene
CID 63436776
2-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-difluoro-5-methoxybenzene
CID 63427344
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene?
The IUPAC name of 1-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene (CID 55225396) is 1-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene is Cc1cc(C)cc(C(Cl)Cc2cccc(F)c2)c1.
What is the InChIKey of 1-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene?
The InChIKey is DIGGTCBGYNPRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF/c1-11-6-12(2)8-14(7-11)16(17)10-13-4-3-5-15(18)9-13/h3-9,16H,10H2,1-2H3.
What are the key properties of 1-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene?
1-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene has a molecular weight of 262.75 g/mol, XLogP of 4.97, 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-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene is sourced from PubChem (CID 55225396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).