4-fluoro-5-propylazepane

C9H18FN — CID 84650925

IUPAC4-fluoro-5-propylazepane
SMILESCCCC1CCNCCC1F
InChIInChI=1S/C9H18FN/c1-2-3-8-4-6-11-7-5-9(8)10/h8-9,11H,2-7H2,1H3
InChIKeyRAYOTNDSUIPTAX-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.12
Rot. Bonds2

About 4-fluoro-5-propylazepane

4-fluoro-5-propylazepane (PubChem CID 84650925) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 4-fluoro-5-propylazepane.

Molecular Properties

Compound Name4-fluoro-5-propylazepane
PubChem CID84650925
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name4-fluoro-5-propylazepane
SMILESCCCC1CCNCCC1F
InChIInChI=1S/C9H18FN/c1-2-3-8-4-6-11-7-5-9(8)10/h8-9,11H,2-7H2,1H3
InChIKeyRAYOTNDSUIPTAX-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-5-propylazepane 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

ethane;4-propylpiperidine
CID 142071399
(3R)-4-(3,3-dimethylbutyl)-3-fluoropiperidine
CID 58286803
carbon dioxide;4-propylpiperidine
CID 162153913
2-(3-propylpiperidin-4-yl)acetic acid
CID 84660229
4,4-difluoro-5-propylazepane
CID 84656071
3-(4-propylpiperidin-3-yl)oxiran-2-amine
CID 123367852
4-fluoro-3-(2,2,2-trifluoroethyl)piperidine
CID 84769566
7-propyl-1,4-oxazepane
CID 165441817
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
3-propyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 79320434
4-(4-cyclopropylphenyl)-3-propylpiperidine
CID 79978393
ethyl (4R)-4-propylpiperidine-3-carboxylate
CID 121479190

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-propylazepane?
The IUPAC name of 4-fluoro-5-propylazepane (CID 84650925) is 4-fluoro-5-propylazepane.
What is the SMILES notation for 4-fluoro-5-propylazepane?
The canonical SMILES for 4-fluoro-5-propylazepane is CCCC1CCNCCC1F.
What is the InChIKey of 4-fluoro-5-propylazepane?
The InChIKey is RAYOTNDSUIPTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-2-3-8-4-6-11-7-5-9(8)10/h8-9,11H,2-7H2,1H3.
What are the key properties of 4-fluoro-5-propylazepane?
4-fluoro-5-propylazepane has a molecular weight of 159.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-propylazepane is sourced from PubChem (CID 84650925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).