1-[3-chloro-2-(2-methylphenyl)propyl]-3,5-difluorobenzene

C16H15ClF2 — CID 105410967

IUPAC1-[3-chloro-2-(2-methylphenyl)propyl]-3,5-difluorobenzene
SMILESCc1ccccc1C(CCl)Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H15ClF2/c1-11-4-2-3-5-16(11)13(10-17)6-12-7-14(18)9-15(19)8-12/h2-5,7-9,13H,6,10H2,1H3
InChIKeyACTKGYLZZUSFIR-UHFFFAOYSA-N
MW280.75 g/mol
LogP4.84
Rot. Bonds4

About 1-[3-chloro-2-(2-methylphenyl)propyl]-3,5-difluorobenzene

1-[3-chloro-2-(2-methylphenyl)propyl]-3,5-difluorobenzene (PubChem CID 105410967) has the molecular formula C16H15ClF2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-[3-chloro-2-(2-methylphenyl)propyl]-3,5-difluorobenzene.

Molecular Properties

Compound Name1-[3-chloro-2-(2-methylphenyl)propyl]-3,5-difluorobenzene
PubChem CID105410967
Molecular FormulaC16H15ClF2
Molecular Weight280.75 g/mol
Exact Mass280.08
IUPAC Name1-[3-chloro-2-(2-methylphenyl)propyl]-3,5-difluorobenzene
SMILESCc1ccccc1C(CCl)Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H15ClF2/c1-11-4-2-3-5-16(11)13(10-17)6-12-7-14(18)9-15(19)8-12/h2-5,7-9,13H,6,10H2,1H3
InChIKeyACTKGYLZZUSFIR-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 54.84
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-bromo-1-[3-chloro-2-(2-methylphenyl)propyl]-4-fluorobenzene
CID 79419241
1-chloro-2-[3-chloro-2-(2-methylphenyl)propyl]benzene
CID 79419089
1-(1-chloro-4-methylpentan-2-yl)-2-methylbenzene
CID 79419088
N-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79420915
[3-chloro-2-(2-methylphenyl)propyl]-trimethylsilane
CID 106324212
1-[3-bromo-2-(2-methylphenyl)propyl]-3,5-dimethylbenzene
CID 79418694
2-[3-chloro-2-(2-methylphenyl)propyl]-1-methoxy-4-methylbenzene
CID 79418764
5-[3-chloro-2-(2-methylphenyl)propyl]-1,3-dimethylpyrazole
CID 79418354
[2-(3,5-difluorophenyl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105413149
1-(1-chloro-3-phenylmethoxypropan-2-yl)-2-methylbenzene
CID 102940982
3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 103041125
3-(3-bromo-5-fluorophenyl)-2-(2-methylphenyl)propanoic acid
CID 79701593

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(2-methylphenyl)propyl]-3,5-difluorobenzene?
The IUPAC name of 1-[3-chloro-2-(2-methylphenyl)propyl]-3,5-difluorobenzene (CID 105410967) is 1-[3-chloro-2-(2-methylphenyl)propyl]-3,5-difluorobenzene.
What is the SMILES notation for 1-[3-chloro-2-(2-methylphenyl)propyl]-3,5-difluorobenzene?
The canonical SMILES for 1-[3-chloro-2-(2-methylphenyl)propyl]-3,5-difluorobenzene is Cc1ccccc1C(CCl)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-[3-chloro-2-(2-methylphenyl)propyl]-3,5-difluorobenzene?
The InChIKey is ACTKGYLZZUSFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2/c1-11-4-2-3-5-16(11)13(10-17)6-12-7-14(18)9-15(19)8-12/h2-5,7-9,13H,6,10H2,1H3.
What are the key properties of 1-[3-chloro-2-(2-methylphenyl)propyl]-3,5-difluorobenzene?
1-[3-chloro-2-(2-methylphenyl)propyl]-3,5-difluorobenzene has a molecular weight of 280.75 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(2-methylphenyl)propyl]-3,5-difluorobenzene is sourced from PubChem (CID 105410967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).