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

C12H22F3N — CID 29051448

IUPAC4-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N/c1-11(2,3)9-4-6-10(7-5-9)16-8-12(13,14)15/h9-10,16H,4-8H2,1-3H3
InChIKeySWGQZYIUPTUDDZ-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.74
Rot. Bonds2

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

4-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine (PubChem CID 29051448) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
PubChem CID29051448
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name4-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N/c1-11(2,3)9-4-6-10(7-5-9)16-8-12(13,14)15/h9-10,16H,4-8H2,1-3H3
InChIKeySWGQZYIUPTUDDZ-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine (CID 29051448) is 4-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine is CC(C)(C)C1CCC(NCC(F)(F)F)CC1.
What is the InChIKey of 4-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The InChIKey is SWGQZYIUPTUDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N/c1-11(2,3)9-4-6-10(7-5-9)16-8-12(13,14)15/h9-10,16H,4-8H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
4-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine has a molecular weight of 237.31 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine is sourced from PubChem (CID 29051448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).