3,3-difluoro-N,5,5-trimethylcyclohexan-1-amine

C9H17F2N — CID 67330950

IUPAC3,3-difluoro-N,5,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)(C)CC(F)(F)C1
InChIInChI=1S/C9H17F2N/c1-8(2)4-7(12-3)5-9(10,11)6-8/h7,12H,4-6H2,1-3H3
InChIKeyQBUMZIGKLQQSQE-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.42
Rot. Bonds1

About 3,3-difluoro-N,5,5-trimethylcyclohexan-1-amine

3,3-difluoro-N,5,5-trimethylcyclohexan-1-amine (PubChem CID 67330950) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 3,3-difluoro-N,5,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-N,5,5-trimethylcyclohexan-1-amine
PubChem CID67330950
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name3,3-difluoro-N,5,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)(C)CC(F)(F)C1
InChIInChI=1S/C9H17F2N/c1-8(2)4-7(12-3)5-9(10,11)6-8/h7,12H,4-6H2,1-3H3
InChIKeyQBUMZIGKLQQSQE-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3-difluoro-N,5,5-trimethylcyclohexan-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 3,3-difluoro-N,5,5-trimethylcyclohexan-1-amine?
The IUPAC name of 3,3-difluoro-N,5,5-trimethylcyclohexan-1-amine (CID 67330950) is 3,3-difluoro-N,5,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 3,3-difluoro-N,5,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 3,3-difluoro-N,5,5-trimethylcyclohexan-1-amine is CNC1CC(C)(C)CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N,5,5-trimethylcyclohexan-1-amine?
The InChIKey is QBUMZIGKLQQSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-8(2)4-7(12-3)5-9(10,11)6-8/h7,12H,4-6H2,1-3H3.
What are the key properties of 3,3-difluoro-N,5,5-trimethylcyclohexan-1-amine?
3,3-difluoro-N,5,5-trimethylcyclohexan-1-amine has a molecular weight of 177.24 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N,5,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 67330950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).