2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,4-dimethylcyclohexan-1-amine

C11H17F6NO — CID 102721871

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,4-dimethylcyclohexan-1-amine
SMILESCNC1CCC(C)CC1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6NO/c1-6-3-4-7(18-2)8(5-6)19-9(10(12,13)14)11(15,16)17/h6-9,18H,3-5H2,1-2H3
InChIKeyAREGRVAMJOPELZ-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.27
Rot. Bonds3

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,4-dimethylcyclohexan-1-amine

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,4-dimethylcyclohexan-1-amine (PubChem CID 102721871) has the molecular formula C11H17F6NO and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,4-dimethylcyclohexan-1-amine
PubChem CID102721871
Molecular FormulaC11H17F6NO
Molecular Weight293.25 g/mol
Exact Mass293.12
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,4-dimethylcyclohexan-1-amine
SMILESCNC1CCC(C)CC1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6NO/c1-6-3-4-7(18-2)8(5-6)19-9(10(12,13)14)11(15,16)17/h6-9,18H,3-5H2,1-2H3
InChIKeyAREGRVAMJOPELZ-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,4-dimethylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,4-dimethylcyclohexan-1-amine (CID 102721871) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,4-dimethylcyclohexan-1-amine is CNC1CCC(C)CC1OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,4-dimethylcyclohexan-1-amine?
The InChIKey is AREGRVAMJOPELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO/c1-6-3-4-7(18-2)8(5-6)19-9(10(12,13)14)11(15,16)17/h6-9,18H,3-5H2,1-2H3.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,4-dimethylcyclohexan-1-amine?
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,4-dimethylcyclohexan-1-amine has a molecular weight of 293.25 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 102721871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).