4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C13H24F3NO — CID 45253458

IUPAC4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)C(OCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-4-12(2,3)9-5-6-10(17)11(7-9)18-8-13(14,15)16/h9-11H,4-8,17H2,1-3H3
InChIKeyAQYFXJIIVBUDHU-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.50
Rot. Bonds4

About 4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 45253458) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID45253458
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)C(OCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-4-12(2,3)9-5-6-10(17)11(7-9)18-8-13(14,15)16/h9-11H,4-8,17H2,1-3H3
InChIKeyAQYFXJIIVBUDHU-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-4,4-dimethylcyclohexan-1-amine
CID 64416373
2-Amino-5-(4-fluoro-2,4-dimethylpentan-2-yl)cyclohexan-1-ol
CID 137507631
4-[4-Amino-3-(trifluoromethoxy)cyclohexyl]-2-(trifluoromethoxy)cyclohexan-1-amine
CID 140420304
3-Fluoro-5-(4-methylcyclohexyl)-2-(1,2,2,2-tetrafluoroethoxy)cyclohexan-1-amine
CID 141816132
4-[3-(1,1-Difluoroethoxy)cyclohexyl]-2,6-difluorocyclohexan-1-amine
CID 144304617
(9R,10R)-3,3-difluoro-9-methyl-8,12-dioxaspiro[5.10]hexadecan-10-amine
CID 178708409
4-Ethyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 16783389
4-Tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 16784604
4-Methyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 16786580
[4-Tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43329417
[4-(2-Methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428742
4-Tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine
CID 45283043

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 45253458) is 4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CCC(C)(C)C1CCC(N)C(OCC(F)(F)F)C1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is AQYFXJIIVBUDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-4-12(2,3)9-5-6-10(17)11(7-9)18-8-13(14,15)16/h9-11H,4-8,17H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 45253458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).