1-cyclobutyl-4-fluoro-2,5-dimethylcyclohexane

C12H21F — CID 155058601

IUPAC1-cyclobutyl-4-fluoro-2,5-dimethylcyclohexane
SMILESCC1CC(C2CCC2)C(C)CC1F
InChIInChI=1S/C12H21F/c1-8-7-12(13)9(2)6-11(8)10-4-3-5-10/h8-12H,3-7H2,1-2H3
InChIKeyWHODLTXVWLUWMW-UHFFFAOYSA-N
MW184.30 g/mol
LogP3.81
Rot. Bonds1

About 1-cyclobutyl-4-fluoro-2,5-dimethylcyclohexane

1-cyclobutyl-4-fluoro-2,5-dimethylcyclohexane (PubChem CID 155058601) has the molecular formula C12H21F and a molecular weight of 184.30 g/mol. Its IUPAC name is 1-cyclobutyl-4-fluoro-2,5-dimethylcyclohexane.

Molecular Properties

Compound Name1-cyclobutyl-4-fluoro-2,5-dimethylcyclohexane
PubChem CID155058601
Molecular FormulaC12H21F
Molecular Weight184.30 g/mol
Exact Mass184.16
IUPAC Name1-cyclobutyl-4-fluoro-2,5-dimethylcyclohexane
SMILESCC1CC(C2CCC2)C(C)CC1F
InChIInChI=1S/C12H21F/c1-8-7-12(13)9(2)6-11(8)10-4-3-5-10/h8-12H,3-7H2,1-2H3
InChIKeyWHODLTXVWLUWMW-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2-methylcyclopropyl)cyclooctane
CID 19768877
cis-(4R,5S)-1-fluoro-2,4,5-trimethylcyclohexane
CID 122693333
(6R)-2-methylbicyclo[4.1.0]heptane
CID 143188107
(1S,2S,3R)-2-cyclobutyl-1-fluoro-3-methylcyclohexane
CID 134386503
1,6-difluoro-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 140635472
(1R,2R,4S)-1-cyclopentyl-2,4-dimethylcyclopentane;trans-(1S,3S)-1,3-dimethylcyclopentane
CID 162245394
5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 14415240
(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 6427449
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
1-cyclobutyl-2-methylcyclohexane
CID 146763407
(1R,3aR,6aR)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 12702720
2,5-dimethylbicyclo[2.2.0]hexane
CID 91558991

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-fluoro-2,5-dimethylcyclohexane?
The IUPAC name of 1-cyclobutyl-4-fluoro-2,5-dimethylcyclohexane (CID 155058601) is 1-cyclobutyl-4-fluoro-2,5-dimethylcyclohexane.
What is the SMILES notation for 1-cyclobutyl-4-fluoro-2,5-dimethylcyclohexane?
The canonical SMILES for 1-cyclobutyl-4-fluoro-2,5-dimethylcyclohexane is CC1CC(C2CCC2)C(C)CC1F.
What is the InChIKey of 1-cyclobutyl-4-fluoro-2,5-dimethylcyclohexane?
The InChIKey is WHODLTXVWLUWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F/c1-8-7-12(13)9(2)6-11(8)10-4-3-5-10/h8-12H,3-7H2,1-2H3.
What are the key properties of 1-cyclobutyl-4-fluoro-2,5-dimethylcyclohexane?
1-cyclobutyl-4-fluoro-2,5-dimethylcyclohexane has a molecular weight of 184.30 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-fluoro-2,5-dimethylcyclohexane is sourced from PubChem (CID 155058601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).