7-fluoro-2-methylazocane

C8H16FN — CID 178025947

IUPAC7-fluoro-2-methylazocane
SMILESCC1CCCCC(F)CN1
InChIInChI=1S/C8H16FN/c1-7-4-2-3-5-8(9)6-10-7/h7-8,10H,2-6H2,1H3
InChIKeyVHJLCIKCTJMWKI-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.88
Rot. Bonds

About 7-fluoro-2-methylazocane

7-fluoro-2-methylazocane (PubChem CID 178025947) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 7-fluoro-2-methylazocane.

Molecular Properties

Compound Name7-fluoro-2-methylazocane
PubChem CID178025947
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name7-fluoro-2-methylazocane
SMILESCC1CCCCC(F)CN1
InChIInChI=1S/C8H16FN/c1-7-4-2-3-5-8(9)6-10-7/h7-8,10H,2-6H2,1H3
InChIKeyVHJLCIKCTJMWKI-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-fluoro-2-methylazocane 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

(2R,7S)-2,7-dimethylazocane
CID 146199429
2-methylpiperidine
CID 7974
methane;2-methylpiperidine
CID 159247179
(2S)-2-methylazocane
CID 137404038
(2S)-2-methylpiperidine;(2S)-2-methylpyrrolidine
CID 164977059
(2R)-2-methylazonane
CID 89251055
(2R,6S)-2,6-dimethylazepane;hydrochloride
CID 66594946
2-methylpyrrolidine
CID 13003
2-methylpyrrolidine
CID 142041388
5-fluoro-2-methylazepane;hydrochloride
CID 166141634
(5S)-2,5-dimethyl-1,4-diazepane
CID 143410890
fluorocyclopentane;hydron
CID 175538452

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methylazocane?
The IUPAC name of 7-fluoro-2-methylazocane (CID 178025947) is 7-fluoro-2-methylazocane.
What is the SMILES notation for 7-fluoro-2-methylazocane?
The canonical SMILES for 7-fluoro-2-methylazocane is CC1CCCCC(F)CN1.
What is the InChIKey of 7-fluoro-2-methylazocane?
The InChIKey is VHJLCIKCTJMWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-7-4-2-3-5-8(9)6-10-7/h7-8,10H,2-6H2,1H3.
What are the key properties of 7-fluoro-2-methylazocane?
7-fluoro-2-methylazocane has a molecular weight of 145.22 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methylazocane is sourced from PubChem (CID 178025947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).