1-tert-butyl-2-fluoro-4-methylcyclohexane

C11H21F — CID 21027517

IUPAC1-tert-butyl-2-fluoro-4-methylcyclohexane
SMILESCC1CCC(C(C)(C)C)C(F)C1
InChIInChI=1S/C11H21F/c1-8-5-6-9(10(12)7-8)11(2,3)4/h8-10H,5-7H2,1-4H3
InChIKeyAZSWIGKOQCVIST-UHFFFAOYSA-N
MW172.29 g/mol
LogP3.81
Rot. Bonds

About 1-tert-butyl-2-fluoro-4-methylcyclohexane

1-tert-butyl-2-fluoro-4-methylcyclohexane (PubChem CID 21027517) has the molecular formula C11H21F and a molecular weight of 172.29 g/mol. Its IUPAC name is 1-tert-butyl-2-fluoro-4-methylcyclohexane.

Molecular Properties

Compound Name1-tert-butyl-2-fluoro-4-methylcyclohexane
PubChem CID21027517
Molecular FormulaC11H21F
Molecular Weight172.29 g/mol
Exact Mass172.16
IUPAC Name1-tert-butyl-2-fluoro-4-methylcyclohexane
SMILESCC1CCC(C(C)(C)C)C(F)C1
InChIInChI=1S/C11H21F/c1-8-5-6-9(10(12)7-8)11(2,3)4/h8-10H,5-7H2,1-4H3
InChIKeyAZSWIGKOQCVIST-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 92529738
(1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 68635053
(4R)-1,2-difluoro-4-methylcyclohexane
CID 89362565
1,5-ditert-butyl-2,4-difluorocyclohexane
CID 166036476
1-tert-butyl-2-fluoro-4-propan-2-yloxycyclohexane
CID 164775367
1-tert-butyl-4-methyl-2-prop-1-en-2-ylcyclohexane
CID 123864296
(1R,2S,5R)-2-fluoro-5-methylcyclohexan-1-ol
CID 126641319
2-fluoro-5-methylcyclohexan-1-ol
CID 89088193
bis(1,3-difluoro-2,5-dimethylcyclohexane);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylcyclohexane);pentahydrate
CID 159094413
4-[difluoro-(2-fluoro-4-methylcyclohexyl)methoxy]-2,6-difluorocyclohexane-1-carbonitrile
CID 142184890
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-fluoro-4-methylcyclohexane?
The IUPAC name of 1-tert-butyl-2-fluoro-4-methylcyclohexane (CID 21027517) is 1-tert-butyl-2-fluoro-4-methylcyclohexane.
What is the SMILES notation for 1-tert-butyl-2-fluoro-4-methylcyclohexane?
The canonical SMILES for 1-tert-butyl-2-fluoro-4-methylcyclohexane is CC1CCC(C(C)(C)C)C(F)C1.
What is the InChIKey of 1-tert-butyl-2-fluoro-4-methylcyclohexane?
The InChIKey is AZSWIGKOQCVIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F/c1-8-5-6-9(10(12)7-8)11(2,3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 1-tert-butyl-2-fluoro-4-methylcyclohexane?
1-tert-butyl-2-fluoro-4-methylcyclohexane has a molecular weight of 172.29 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-fluoro-4-methylcyclohexane is sourced from PubChem (CID 21027517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).