4-(2-chlorocyclohexyl)-2-fluoro-1-methylbenzene

C13H16ClF — CID 107129356

IUPAC4-(2-chlorocyclohexyl)-2-fluoro-1-methylbenzene
SMILESCc1ccc(C2CCCCC2Cl)cc1F
InChIInChI=1S/C13H16ClF/c1-9-6-7-10(8-13(9)15)11-4-2-3-5-12(11)14/h6-8,11-12H,2-5H2,1H3
InChIKeyIYJJBHWSWWMANF-UHFFFAOYSA-N
MW226.72 g/mol
LogP4.40
Rot. Bonds1

About 4-(2-chlorocyclohexyl)-2-fluoro-1-methylbenzene

4-(2-chlorocyclohexyl)-2-fluoro-1-methylbenzene (PubChem CID 107129356) has the molecular formula C13H16ClF and a molecular weight of 226.72 g/mol. Its IUPAC name is 4-(2-chlorocyclohexyl)-2-fluoro-1-methylbenzene.

Molecular Properties

Compound Name4-(2-chlorocyclohexyl)-2-fluoro-1-methylbenzene
PubChem CID107129356
Molecular FormulaC13H16ClF
Molecular Weight226.72 g/mol
Exact Mass226.09
IUPAC Name4-(2-chlorocyclohexyl)-2-fluoro-1-methylbenzene
SMILESCc1ccc(C2CCCCC2Cl)cc1F
InChIInChI=1S/C13H16ClF/c1-9-6-7-10(8-13(9)15)11-4-2-3-5-12(11)14/h6-8,11-12H,2-5H2,1H3
InChIKeyIYJJBHWSWWMANF-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.72
LogP ≤ 54.40
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-chloro-2-(3-chloro-4-methylphenyl)cycloheptane
CID 107560894
2-(3-fluoro-4-methylphenyl)cyclopentan-1-ol
CID 2759027
4-cyclopropyl-2-fluoro-1-methylbenzene;ethane
CID 177038852
4-[4-(cyclohexylmethyl)cyclohexyl]-2-fluoro-1-methylbenzene
CID 54260126
2-(2-chlorocyclohexyl)naphthalene
CID 63511452
2-(2-chlorocyclohexyl)-1,4-dimethylbenzene
CID 63512125
cyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 91598886
[4-(3-fluoro-4-methylphenyl)cyclohexyl]methylsilane
CID 137329605
trans-(1S,2R)-2-(4-fluoro-3-methylphenyl)cyclohexan-1-ol
CID 26595178
(2R)-2-(3-fluoro-4-methylphenyl)azetidine
CID 130737796
4-(3-fluoro-4-methylphenyl)-5-methylpyrrolidin-2-one
CID 66109341
5-(2-chlorocycloheptyl)-2-methylpyridine
CID 63156025

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorocyclohexyl)-2-fluoro-1-methylbenzene?
The IUPAC name of 4-(2-chlorocyclohexyl)-2-fluoro-1-methylbenzene (CID 107129356) is 4-(2-chlorocyclohexyl)-2-fluoro-1-methylbenzene.
What is the SMILES notation for 4-(2-chlorocyclohexyl)-2-fluoro-1-methylbenzene?
The canonical SMILES for 4-(2-chlorocyclohexyl)-2-fluoro-1-methylbenzene is Cc1ccc(C2CCCCC2Cl)cc1F.
What is the InChIKey of 4-(2-chlorocyclohexyl)-2-fluoro-1-methylbenzene?
The InChIKey is IYJJBHWSWWMANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF/c1-9-6-7-10(8-13(9)15)11-4-2-3-5-12(11)14/h6-8,11-12H,2-5H2,1H3.
What are the key properties of 4-(2-chlorocyclohexyl)-2-fluoro-1-methylbenzene?
4-(2-chlorocyclohexyl)-2-fluoro-1-methylbenzene has a molecular weight of 226.72 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorocyclohexyl)-2-fluoro-1-methylbenzene is sourced from PubChem (CID 107129356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).