[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine

C13H24F3NO — CID 62111416

IUPAC[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)(OCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-11(2,3)10-4-6-12(8-17,7-5-10)18-9-13(14,15)16/h10H,4-9,17H2,1-3H3
InChIKeyWFNIHUDFAZGUAA-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.50
Rot. Bonds3

About [4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine

[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (PubChem CID 62111416) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is [4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
PubChem CID62111416
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)(OCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-11(2,3)10-4-6-12(8-17,7-5-10)18-9-13(14,15)16/h10H,4-9,17H2,1-3H3
InChIKeyWFNIHUDFAZGUAA-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (CID 62111416) is [4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is CC(C)(C)C1CCC(CN)(OCC(F)(F)F)CC1.
What is the InChIKey of [4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The InChIKey is WFNIHUDFAZGUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-11(2,3)10-4-6-12(8-17,7-5-10)18-9-13(14,15)16/h10H,4-9,17H2,1-3H3.
What are the key properties of [4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 62111416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).