6-(2-fluoro-4,6-dimethylphenyl)bicyclo[3.1.0]hexane

C14H17F — CID 142950141

IUPAC6-(2-fluoro-4,6-dimethylphenyl)bicyclo[3.1.0]hexane
SMILESCc1cc(C)c(C2C3CCCC32)c(F)c1
InChIInChI=1S/C14H17F/c1-8-6-9(2)13(12(15)7-8)14-10-4-3-5-11(10)14/h6-7,10-11,14H,3-5H2,1-2H3
InChIKeyNYKJCZOCOYSOBZ-UHFFFAOYSA-N
MW204.29 g/mol
LogP3.96
Rot. Bonds1

About 6-(2-fluoro-4,6-dimethylphenyl)bicyclo[3.1.0]hexane

6-(2-fluoro-4,6-dimethylphenyl)bicyclo[3.1.0]hexane (PubChem CID 142950141) has the molecular formula C14H17F and a molecular weight of 204.29 g/mol. Its IUPAC name is 6-(2-fluoro-4,6-dimethylphenyl)bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-(2-fluoro-4,6-dimethylphenyl)bicyclo[3.1.0]hexane
PubChem CID142950141
Molecular FormulaC14H17F
Molecular Weight204.29 g/mol
Exact Mass204.13
IUPAC Name6-(2-fluoro-4,6-dimethylphenyl)bicyclo[3.1.0]hexane
SMILESCc1cc(C)c(C2C3CCCC32)c(F)c1
InChIInChI=1S/C14H17F/c1-8-6-9(2)13(12(15)7-8)14-10-4-3-5-11(10)14/h6-7,10-11,14H,3-5H2,1-2H3
InChIKeyNYKJCZOCOYSOBZ-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-cyclopropyl-1-fluoro-3,5-dimethylbenzene
CID 165138654
2-(2-fluoro-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 106882833
2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexan-1-amine
CID 106882846
(2,4,6-trimethylphenyl)cyclododecane
CID 123823481
3-(2-fluoro-4,6-dimethylphenyl)piperidine-2,6-dione
CID 170979047
[2-(2-fluoro-4,6-dimethylphenyl)-4,4-dimethylcyclohexyl]methanamine
CID 106882861
8-(2-fluoro-4,6-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 106880624
2-cyclobutyl-1,3-difluoro-5-methylbenzene;2,2-dimethylpropan-1-ol;ethane
CID 143930115
5-(2-fluoro-4,6-dimethylphenyl)pyrrolidine-2-carboxylic acid
CID 106882408
2-(2,6-difluoro-4-methylphenyl)oxirane
CID 121433123
[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methanamine
CID 106882856
N-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 106882895

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4,6-dimethylphenyl)bicyclo[3.1.0]hexane?
The IUPAC name of 6-(2-fluoro-4,6-dimethylphenyl)bicyclo[3.1.0]hexane (CID 142950141) is 6-(2-fluoro-4,6-dimethylphenyl)bicyclo[3.1.0]hexane.
What is the SMILES notation for 6-(2-fluoro-4,6-dimethylphenyl)bicyclo[3.1.0]hexane?
The canonical SMILES for 6-(2-fluoro-4,6-dimethylphenyl)bicyclo[3.1.0]hexane is Cc1cc(C)c(C2C3CCCC32)c(F)c1.
What is the InChIKey of 6-(2-fluoro-4,6-dimethylphenyl)bicyclo[3.1.0]hexane?
The InChIKey is NYKJCZOCOYSOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F/c1-8-6-9(2)13(12(15)7-8)14-10-4-3-5-11(10)14/h6-7,10-11,14H,3-5H2,1-2H3.
What are the key properties of 6-(2-fluoro-4,6-dimethylphenyl)bicyclo[3.1.0]hexane?
6-(2-fluoro-4,6-dimethylphenyl)bicyclo[3.1.0]hexane has a molecular weight of 204.29 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4,6-dimethylphenyl)bicyclo[3.1.0]hexane is sourced from PubChem (CID 142950141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).