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

C12H22F3NO — CID 82711113

IUPAC4-tert-butyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NOCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-11(2,3)9-4-6-10(7-5-9)16-17-8-12(13,14)15/h9-10,16H,4-8H2,1-3H3
InChIKeyJYXIVYBYEWYTCD-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.67
Rot. Bonds3

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

4-tert-butyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 82711113) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID82711113
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name4-tert-butyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NOCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-11(2,3)9-4-6-10(7-5-9)16-17-8-12(13,14)15/h9-10,16H,4-8H2,1-3H3
InChIKeyJYXIVYBYEWYTCD-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 82711113) is 4-tert-butyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CC(C)(C)C1CCC(NOCC(F)(F)F)CC1.
What is the InChIKey of 4-tert-butyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is JYXIVYBYEWYTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-11(2,3)9-4-6-10(7-5-9)16-17-8-12(13,14)15/h9-10,16H,4-8H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
4-tert-butyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 82711113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).