1-(3-chloro-2-methylpropyl)-4-fluorobenzene

C10H12ClF — CID 64666750

IUPAC1-(3-chloro-2-methylpropyl)-4-fluorobenzene
SMILESCC(CCl)Cc1ccc(F)cc1
InChIInChI=1S/C10H12ClF/c1-8(7-11)6-9-2-4-10(12)5-3-9/h2-5,8H,6-7H2,1H3
InChIKeyOJPGUQMQIDCRKE-UHFFFAOYSA-N
MW186.66 g/mol
LogP3.24
Rot. Bonds3

About 1-(3-chloro-2-methylpropyl)-4-fluorobenzene

1-(3-chloro-2-methylpropyl)-4-fluorobenzene (PubChem CID 64666750) has the molecular formula C10H12ClF and a molecular weight of 186.66 g/mol. Its IUPAC name is 1-(3-chloro-2-methylpropyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(3-chloro-2-methylpropyl)-4-fluorobenzene
PubChem CID64666750
Molecular FormulaC10H12ClF
Molecular Weight186.66 g/mol
Exact Mass186.06
IUPAC Name1-(3-chloro-2-methylpropyl)-4-fluorobenzene
SMILESCC(CCl)Cc1ccc(F)cc1
InChIInChI=1S/C10H12ClF/c1-8(7-11)6-9-2-4-10(12)5-3-9/h2-5,8H,6-7H2,1H3
InChIKeyOJPGUQMQIDCRKE-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.66
LogP ≤ 53.24
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

3-(4-fluorophenyl)-2-methylpropane-1-thiol
CID 83930913
4-(4-fluorophenyl)-3-methylbutan-1-amine
CID 79003663
1-(2,8-dimethylnonyl)-4-fluorobenzene
CID 162726877
1-(2,8-dimethylnonyl)-4-fluorobenzene;ethane
CID 162726876
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135
5-(3-chloro-2-methylpropyl)-2-methylpyridine
CID 64664823
1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-3,5-difluorobenzene
CID 105410889
1-(3-chloro-2-methylpentyl)-4-fluorobenzene
CID 63559740
3-[3-(4-fluorophenyl)-2-methylpropyl]aniline
CID 19834544
1-[2-(chloromethyl)-3-ethoxypropyl]-4-fluorobenzene
CID 103985110
1-(4-fluorophenyl)-3-methoxybutan-2-amine
CID 79616204
1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methylbenzene
CID 66034591

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylpropyl)-4-fluorobenzene?
The IUPAC name of 1-(3-chloro-2-methylpropyl)-4-fluorobenzene (CID 64666750) is 1-(3-chloro-2-methylpropyl)-4-fluorobenzene.
What is the SMILES notation for 1-(3-chloro-2-methylpropyl)-4-fluorobenzene?
The canonical SMILES for 1-(3-chloro-2-methylpropyl)-4-fluorobenzene is CC(CCl)Cc1ccc(F)cc1.
What is the InChIKey of 1-(3-chloro-2-methylpropyl)-4-fluorobenzene?
The InChIKey is OJPGUQMQIDCRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF/c1-8(7-11)6-9-2-4-10(12)5-3-9/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-(3-chloro-2-methylpropyl)-4-fluorobenzene?
1-(3-chloro-2-methylpropyl)-4-fluorobenzene has a molecular weight of 186.66 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylpropyl)-4-fluorobenzene is sourced from PubChem (CID 64666750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).