(3R)-3-fluoro-3-methylazepane

C7H14FN — CID 124708989

IUPAC(3R)-3-fluoro-3-methylazepane
SMILESC[C@@]1(F)CCCCNC1
InChIInChI=1S/C7H14FN/c1-7(8)4-2-3-5-9-6-7/h9H,2-6H2,1H3/t7-/m1/s1
InChIKeyFPYOSODGQJUIBF-SSDOTTSWSA-N
MW131.19 g/mol
LogP1.49
Rot. Bonds

About (3R)-3-fluoro-3-methylazepane

(3R)-3-fluoro-3-methylazepane (PubChem CID 124708989) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is (3R)-3-fluoro-3-methylazepane.

Molecular Properties

Compound Name(3R)-3-fluoro-3-methylazepane
PubChem CID124708989
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name(3R)-3-fluoro-3-methylazepane
SMILESC[C@@]1(F)CCCCNC1
InChIInChI=1S/C7H14FN/c1-7(8)4-2-3-5-9-6-7/h9H,2-6H2,1H3/t7-/m1/s1
InChIKeyFPYOSODGQJUIBF-SSDOTTSWSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3R)-3-fluoro-3-methylazepane 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

(3S)-3-fluoro-3-methylpiperidine
CID 97009658
3,3-difluoroazepane;ethane
CID 142117389
3,3-difluoroazepane;hydrochloride
CID 118798396
1-fluoro-1-methylcycloheptane
CID 57055784
3-(difluoromethyl)-3-methylazepane
CID 105432135
3,3-dimethylazocane;methane
CID 144639099
7-azaspiro[4.6]undecane
CID 75488634
ethane;4-fluoro-4-methylpiperidine
CID 142139578
(3S)-3-(difluoromethyl)-3-methylpiperidine
CID 58874293
3-fluoro-3-iodopiperidine
CID 126739580
7-azaspiro[4.6]undecane;hydrochloride
CID 138039788
ethane;pyrrolidine;hydrofluoride
CID 143607064

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-3-methylazepane?
The IUPAC name of (3R)-3-fluoro-3-methylazepane (CID 124708989) is (3R)-3-fluoro-3-methylazepane.
What is the SMILES notation for (3R)-3-fluoro-3-methylazepane?
The canonical SMILES for (3R)-3-fluoro-3-methylazepane is C[C@@]1(F)CCCCNC1.
What is the InChIKey of (3R)-3-fluoro-3-methylazepane?
The InChIKey is FPYOSODGQJUIBF-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14FN/c1-7(8)4-2-3-5-9-6-7/h9H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (3R)-3-fluoro-3-methylazepane?
(3R)-3-fluoro-3-methylazepane has a molecular weight of 131.19 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-3-methylazepane is sourced from PubChem (CID 124708989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).