4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C12H22F3NO — CID 16784604

IUPAC4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(OCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-11(2,3)8-4-5-9(16)10(6-8)17-7-12(13,14)15/h8-10H,4-7,16H2,1-3H3
InChIKeyXXQWEKSMCPFDCV-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.11
Rot. Bonds2

About 4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 16784604) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID16784604
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(OCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-11(2,3)8-4-5-9(16)10(6-8)17-7-12(13,14)15/h8-10H,4-7,16H2,1-3H3
InChIKeyXXQWEKSMCPFDCV-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 16784604) is 4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CC(C)(C)C1CCC(N)C(OCC(F)(F)F)C1.
What is the InChIKey of 4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is XXQWEKSMCPFDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-11(2,3)8-4-5-9(16)10(6-8)17-7-12(13,14)15/h8-10H,4-7,16H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
4-tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.11, 2 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)cyclohexan-1-amine is sourced from PubChem (CID 16784604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).