(4R)-6,6-difluoroazepan-4-amine

C6H12F2N2 — CID 141363121

IUPAC(4R)-6,6-difluoroazepan-4-amine
SMILESN[C@@H]1CCNCC(F)(F)C1
InChIInChI=1S/C6H12F2N2/c7-6(8)3-5(9)1-2-10-4-6/h5,10H,1-4,9H2/t5-/m1/s1
InChIKeyJMMYCYUAJJNMAS-RXMQYKEDSA-N
MW150.17 g/mol
LogP0.33
Rot. Bonds

About (4R)-6,6-difluoroazepan-4-amine

(4R)-6,6-difluoroazepan-4-amine (PubChem CID 141363121) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is (4R)-6,6-difluoroazepan-4-amine.

Molecular Properties

Compound Name(4R)-6,6-difluoroazepan-4-amine
PubChem CID141363121
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name(4R)-6,6-difluoroazepan-4-amine
SMILESN[C@@H]1CCNCC(F)(F)C1
InChIInChI=1S/C6H12F2N2/c7-6(8)3-5(9)1-2-10-4-6/h5,10H,1-4,9H2/t5-/m1/s1
InChIKeyJMMYCYUAJJNMAS-RXMQYKEDSA-N
XLogP0.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4R)-6,6-difluoroazepan-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

6,6-dimethylazepan-4-amine
CID 123426306
(1R)-3,3-difluorocycloheptan-1-amine
CID 97055145
6,6-difluoro-1,4-diazepane;hydrochloride
CID 169219655
(5R,8S)-2-azaspiro[4.4]nonan-8-amine
CID 97168804
2-azaspiro[4.4]nonan-8-amine
CID 71649078
3,3-difluorocyclohexan-1-amine;hydrochloride
CID 71711147
5-cyclopropyl-3,3-difluoropiperidine
CID 163580100
3,3-difluoro-4-propan-2-ylpiperidine
CID 58394614
N-[(3-amino-1-fluorocyclopentyl)methyl]piperidin-4-amine
CID 105469167
piperidin-4-amine;piperidine
CID 172695620
(4S)-3,3-difluoro-4-propan-2-yloxypiperidine
CID 121261754
azepan-4-amine;dihydrochloride
CID 118989390

Frequently Asked Questions

What is the IUPAC name of (4R)-6,6-difluoroazepan-4-amine?
The IUPAC name of (4R)-6,6-difluoroazepan-4-amine (CID 141363121) is (4R)-6,6-difluoroazepan-4-amine.
What is the SMILES notation for (4R)-6,6-difluoroazepan-4-amine?
The canonical SMILES for (4R)-6,6-difluoroazepan-4-amine is N[C@@H]1CCNCC(F)(F)C1.
What is the InChIKey of (4R)-6,6-difluoroazepan-4-amine?
The InChIKey is JMMYCYUAJJNMAS-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12F2N2/c7-6(8)3-5(9)1-2-10-4-6/h5,10H,1-4,9H2/t5-/m1/s1.
What are the key properties of (4R)-6,6-difluoroazepan-4-amine?
(4R)-6,6-difluoroazepan-4-amine has a molecular weight of 150.17 g/mol, XLogP of 0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6,6-difluoroazepan-4-amine is sourced from PubChem (CID 141363121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).