[4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine

C13H24F3NO — CID 43329417

IUPAC[4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)C(OCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-12(2,3)10-5-4-9(7-17)11(6-10)18-8-13(14,15)16/h9-11H,4-8,17H2,1-3H3
InChIKeyKIJGGAWDOJCUML-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.36
Rot. Bonds3

About [4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine

[4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (PubChem CID 43329417) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is [4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
PubChem CID43329417
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name[4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)C(OCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-12(2,3)10-5-4-9(7-17)11(6-10)18-8-13(14,15)16/h9-11H,4-8,17H2,1-3H3
InChIKeyKIJGGAWDOJCUML-UHFFFAOYSA-N
XLogP3.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 16784604
[4-Ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43329445
[4-Propyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428737
[4-Ethyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428738
[4-Methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428739
[4-(2-Methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428742
[4-Propyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428921
[4-Methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428922
[4-(2-Methylbutan-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428925
[4-Tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428926
3,3,3-Trifluoro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine
CID 43752924
3-(2-Ethylcyclohexyl)oxy-4,4,4-trifluorobutan-1-amine
CID 43753306

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (CID 43329417) is [4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is CC(C)(C)C1CCC(CN)C(OCC(F)(F)F)C1.
What is the InChIKey of [4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The InChIKey is KIJGGAWDOJCUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-12(2,3)10-5-4-9(7-17)11(6-10)18-8-13(14,15)16/h9-11H,4-8,17H2,1-3H3.
What are the key properties of [4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
[4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 43329417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).