3-fluoro-3-(5-methylthiophen-2-yl)azetidine

C8H10FNS — CID 112563406

IUPAC3-fluoro-3-(5-methylthiophen-2-yl)azetidine
SMILESCc1ccc(C2(F)CNC2)s1
InChIInChI=1S/C8H10FNS/c1-6-2-3-7(11-6)8(9)4-10-5-8/h2-3,10H,4-5H2,1H3
InChIKeyKJZFIFGHAVCDNW-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.82
Rot. Bonds1

About 3-fluoro-3-(5-methylthiophen-2-yl)azetidine

3-fluoro-3-(5-methylthiophen-2-yl)azetidine (PubChem CID 112563406) has the molecular formula C8H10FNS and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-fluoro-3-(5-methylthiophen-2-yl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(5-methylthiophen-2-yl)azetidine
PubChem CID112563406
Molecular FormulaC8H10FNS
Molecular Weight171.24 g/mol
Exact Mass171.05
IUPAC Name3-fluoro-3-(5-methylthiophen-2-yl)azetidine
SMILESCc1ccc(C2(F)CNC2)s1
InChIInChI=1S/C8H10FNS/c1-6-2-3-7(11-6)8(9)4-10-5-8/h2-3,10H,4-5H2,1H3
InChIKeyKJZFIFGHAVCDNW-UHFFFAOYSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-3-(5-methylthiophen-2-yl)azetidine 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 3-fluoro-3-(5-methylthiophen-2-yl)azetidine?
The IUPAC name of 3-fluoro-3-(5-methylthiophen-2-yl)azetidine (CID 112563406) is 3-fluoro-3-(5-methylthiophen-2-yl)azetidine.
What is the SMILES notation for 3-fluoro-3-(5-methylthiophen-2-yl)azetidine?
The canonical SMILES for 3-fluoro-3-(5-methylthiophen-2-yl)azetidine is Cc1ccc(C2(F)CNC2)s1.
What is the InChIKey of 3-fluoro-3-(5-methylthiophen-2-yl)azetidine?
The InChIKey is KJZFIFGHAVCDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNS/c1-6-2-3-7(11-6)8(9)4-10-5-8/h2-3,10H,4-5H2,1H3.
What are the key properties of 3-fluoro-3-(5-methylthiophen-2-yl)azetidine?
3-fluoro-3-(5-methylthiophen-2-yl)azetidine has a molecular weight of 171.24 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(5-methylthiophen-2-yl)azetidine is sourced from PubChem (CID 112563406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).