3-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]azetidine

C14H14FNS — CID 68512768

IUPAC3-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]azetidine
SMILESFc1ccc(Cc2ccsc2C2CNC2)cc1
InChIInChI=1S/C14H14FNS/c15-13-3-1-10(2-4-13)7-11-5-6-17-14(11)12-8-16-9-12/h1-6,12,16H,7-9H2
InChIKeyIYOXTJLQBWKULT-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.16
Rot. Bonds3

About 3-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]azetidine

3-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]azetidine (PubChem CID 68512768) has the molecular formula C14H14FNS and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]azetidine.

Molecular Properties

Compound Name3-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]azetidine
PubChem CID68512768
Molecular FormulaC14H14FNS
Molecular Weight247.34 g/mol
Exact Mass247.08
IUPAC Name3-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]azetidine
SMILESFc1ccc(Cc2ccsc2C2CNC2)cc1
InChIInChI=1S/C14H14FNS/c15-13-3-1-10(2-4-13)7-11-5-6-17-14(11)12-8-16-9-12/h1-6,12,16H,7-9H2
InChIKeyIYOXTJLQBWKULT-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 1817785
CID 1817785
CID 961320
CID 961320
CID 24746854
CID 24746854
CID 1817795
CID 1817795
CID 18525772
CID 18525772
CID 156020669
CID 156020669
CID 1817787
CID 1817787
CID 1817793
CID 1817793
CID 40599
CID 40599
CID 7127781
CID 7127781
CID 4962648
CID 4962648
CID 68575225
CID 68575225

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]azetidine?
The IUPAC name of 3-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]azetidine (CID 68512768) is 3-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]azetidine.
What is the SMILES notation for 3-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]azetidine?
The canonical SMILES for 3-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]azetidine is Fc1ccc(Cc2ccsc2C2CNC2)cc1.
What is the InChIKey of 3-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]azetidine?
The InChIKey is IYOXTJLQBWKULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNS/c15-13-3-1-10(2-4-13)7-11-5-6-17-14(11)12-8-16-9-12/h1-6,12,16H,7-9H2.
What are the key properties of 3-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]azetidine?
3-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]azetidine has a molecular weight of 247.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]azetidine is sourced from PubChem (CID 68512768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).