(3S,4R)-3-(fluoromethyl)-4-(5-methylthiophen-2-yl)pyrrolidine

C10H14FNS — CID 129492908

IUPAC(3S,4R)-3-(fluoromethyl)-4-(5-methylthiophen-2-yl)pyrrolidine
SMILESCc1ccc([C@H]2CNC[C@H]2CF)s1
InChIInChI=1S/C10H14FNS/c1-7-2-3-10(13-7)9-6-12-5-8(9)4-11/h2-3,8-9,12H,4-6H2,1H3/t8-,9+/m1/s1
InChIKeyBFOOOAOPQGIKSX-BDAKNGLRSA-N
MW199.29 g/mol
LogP2.33
Rot. Bonds2

About (3S,4R)-3-(fluoromethyl)-4-(5-methylthiophen-2-yl)pyrrolidine

(3S,4R)-3-(fluoromethyl)-4-(5-methylthiophen-2-yl)pyrrolidine (PubChem CID 129492908) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is (3S,4R)-3-(fluoromethyl)-4-(5-methylthiophen-2-yl)pyrrolidine.

Molecular Properties

Compound Name(3S,4R)-3-(fluoromethyl)-4-(5-methylthiophen-2-yl)pyrrolidine
PubChem CID129492908
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name(3S,4R)-3-(fluoromethyl)-4-(5-methylthiophen-2-yl)pyrrolidine
SMILESCc1ccc([C@H]2CNC[C@H]2CF)s1
InChIInChI=1S/C10H14FNS/c1-7-2-3-10(13-7)9-6-12-5-8(9)4-11/h2-3,8-9,12H,4-6H2,1H3/t8-,9+/m1/s1
InChIKeyBFOOOAOPQGIKSX-BDAKNGLRSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,4R)-3-(fluoromethyl)-4-(5-methylthiophen-2-yl)pyrrolidine 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 (3S,4R)-3-(fluoromethyl)-4-(5-methylthiophen-2-yl)pyrrolidine?
The IUPAC name of (3S,4R)-3-(fluoromethyl)-4-(5-methylthiophen-2-yl)pyrrolidine (CID 129492908) is (3S,4R)-3-(fluoromethyl)-4-(5-methylthiophen-2-yl)pyrrolidine.
What is the SMILES notation for (3S,4R)-3-(fluoromethyl)-4-(5-methylthiophen-2-yl)pyrrolidine?
The canonical SMILES for (3S,4R)-3-(fluoromethyl)-4-(5-methylthiophen-2-yl)pyrrolidine is Cc1ccc([C@H]2CNC[C@H]2CF)s1.
What is the InChIKey of (3S,4R)-3-(fluoromethyl)-4-(5-methylthiophen-2-yl)pyrrolidine?
The InChIKey is BFOOOAOPQGIKSX-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H14FNS/c1-7-2-3-10(13-7)9-6-12-5-8(9)4-11/h2-3,8-9,12H,4-6H2,1H3/t8-,9+/m1/s1.
What are the key properties of (3S,4R)-3-(fluoromethyl)-4-(5-methylthiophen-2-yl)pyrrolidine?
(3S,4R)-3-(fluoromethyl)-4-(5-methylthiophen-2-yl)pyrrolidine has a molecular weight of 199.29 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(fluoromethyl)-4-(5-methylthiophen-2-yl)pyrrolidine is sourced from PubChem (CID 129492908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).