2-cycloheptyl-4-fluoro-2-methylpyrrolidine;hydrochloride

C12H23ClFN — CID 115041274

IUPAC2-cycloheptyl-4-fluoro-2-methylpyrrolidine;hydrochloride
SMILESCC1(C2CCCCCC2)CC(F)CN1.Cl
InChIInChI=1S/C12H22FN.ClH/c1-12(8-11(13)9-14-12)10-6-4-2-3-5-7-10;/h10-11,14H,2-9H2,1H3;1H
InChIKeyYMGNUHRTPRENAI-UHFFFAOYSA-N
MW235.77 g/mol
LogP3.47
Rot. Bonds1

About 2-cycloheptyl-4-fluoro-2-methylpyrrolidine;hydrochloride

2-cycloheptyl-4-fluoro-2-methylpyrrolidine;hydrochloride (PubChem CID 115041274) has the molecular formula C12H23ClFN and a molecular weight of 235.77 g/mol. Its IUPAC name is 2-cycloheptyl-4-fluoro-2-methylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-cycloheptyl-4-fluoro-2-methylpyrrolidine;hydrochloride
PubChem CID115041274
Molecular FormulaC12H23ClFN
Molecular Weight235.77 g/mol
Exact Mass235.15
IUPAC Name2-cycloheptyl-4-fluoro-2-methylpyrrolidine;hydrochloride
SMILESCC1(C2CCCCCC2)CC(F)CN1.Cl
InChIInChI=1S/C12H22FN.ClH/c1-12(8-11(13)9-14-12)10-6-4-2-3-5-7-10;/h10-11,14H,2-9H2,1H3;1H
InChIKeyYMGNUHRTPRENAI-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.77
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-cycloheptyl-4-fluoro-2-methylpyrrolidine;hydrochloride 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 2-cycloheptyl-4-fluoro-2-methylpyrrolidine;hydrochloride?
The IUPAC name of 2-cycloheptyl-4-fluoro-2-methylpyrrolidine;hydrochloride (CID 115041274) is 2-cycloheptyl-4-fluoro-2-methylpyrrolidine;hydrochloride.
What is the SMILES notation for 2-cycloheptyl-4-fluoro-2-methylpyrrolidine;hydrochloride?
The canonical SMILES for 2-cycloheptyl-4-fluoro-2-methylpyrrolidine;hydrochloride is CC1(C2CCCCCC2)CC(F)CN1.Cl.
What is the InChIKey of 2-cycloheptyl-4-fluoro-2-methylpyrrolidine;hydrochloride?
The InChIKey is YMGNUHRTPRENAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN.ClH/c1-12(8-11(13)9-14-12)10-6-4-2-3-5-7-10;/h10-11,14H,2-9H2,1H3;1H.
What are the key properties of 2-cycloheptyl-4-fluoro-2-methylpyrrolidine;hydrochloride?
2-cycloheptyl-4-fluoro-2-methylpyrrolidine;hydrochloride has a molecular weight of 235.77 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-4-fluoro-2-methylpyrrolidine;hydrochloride is sourced from PubChem (CID 115041274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).