(3S)-1-(2-fluoropropyl)-3-methylpyrrolidine

C8H16FN — CID 167647570

IUPAC(3S)-1-(2-fluoropropyl)-3-methylpyrrolidine
SMILESCC(F)CN1CC[C@H](C)C1
InChIInChI=1S/C8H16FN/c1-7-3-4-10(5-7)6-8(2)9/h7-8H,3-6H2,1-2H3/t7-,8?/m0/s1
InChIKeyIGHRKUGDPSVGFI-JAMMHHFISA-N
MW145.22 g/mol
LogP1.69
Rot. Bonds2

About (3S)-1-(2-fluoropropyl)-3-methylpyrrolidine

(3S)-1-(2-fluoropropyl)-3-methylpyrrolidine (PubChem CID 167647570) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is (3S)-1-(2-fluoropropyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name(3S)-1-(2-fluoropropyl)-3-methylpyrrolidine
PubChem CID167647570
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name(3S)-1-(2-fluoropropyl)-3-methylpyrrolidine
SMILESCC(F)CN1CC[C@H](C)C1
InChIInChI=1S/C8H16FN/c1-7-3-4-10(5-7)6-8(2)9/h7-8H,3-6H2,1-2H3/t7-,8?/m0/s1
InChIKeyIGHRKUGDPSVGFI-JAMMHHFISA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3S)-1-(2-fluoropropyl)-3-methylpyrrolidine 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

Pyrrolidine, 1-(2-methylpropyl)-
CID 142348
3-Methyl-1-pyrrolidinobutane
CID 12869920
1,3-Dimethylpyrrolidine
CID 237662
N-(2'-Methylbutyl)pyrrolidine
CID 15180078
1-Ethyl-3-methylpyrrolidine
CID 11274984
fluoro-N-propyl-3,4-dimethylpyrrolidine
CID 129762197
1-(3-Methylbutan-2-yl)pyrrolidine
CID 12239629
3-(3-Fluoropropyl)-1-methylpyrrolidine
CID 18723118
3-Fluoro-1-(2-methylpropyl)pyrrolidine
CID 20672260
N,N-dibutyl-1-fluoro-2-methylpropan-1-amine
CID 20735606
N-(2-fluoroethyl)-N,3-dimethylbutan-1-amine
CID 20811853
3-(Fluoromethyl)-1-methylpyrrolidine
CID 22903693

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-fluoropropyl)-3-methylpyrrolidine?
The IUPAC name of (3S)-1-(2-fluoropropyl)-3-methylpyrrolidine (CID 167647570) is (3S)-1-(2-fluoropropyl)-3-methylpyrrolidine.
What is the SMILES notation for (3S)-1-(2-fluoropropyl)-3-methylpyrrolidine?
The canonical SMILES for (3S)-1-(2-fluoropropyl)-3-methylpyrrolidine is CC(F)CN1CC[C@H](C)C1.
What is the InChIKey of (3S)-1-(2-fluoropropyl)-3-methylpyrrolidine?
The InChIKey is IGHRKUGDPSVGFI-JAMMHHFISA-N. The full InChI is InChI=1S/C8H16FN/c1-7-3-4-10(5-7)6-8(2)9/h7-8H,3-6H2,1-2H3/t7-,8?/m0/s1.
What are the key properties of (3S)-1-(2-fluoropropyl)-3-methylpyrrolidine?
(3S)-1-(2-fluoropropyl)-3-methylpyrrolidine has a molecular weight of 145.22 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-fluoropropyl)-3-methylpyrrolidine is sourced from PubChem (CID 167647570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).