3-[(5-ethylthiophen-2-yl)methyl]-3-fluoroazetidine

C10H14FNS — CID 112563362

IUPAC3-[(5-ethylthiophen-2-yl)methyl]-3-fluoroazetidine
SMILESCCc1ccc(CC2(F)CNC2)s1
InChIInChI=1S/C10H14FNS/c1-2-8-3-4-9(13-8)5-10(11)6-12-7-10/h3-4,12H,2,5-7H2,1H3
InChIKeyFSMVVBJUKKODPL-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.16
Rot. Bonds3

About 3-[(5-ethylthiophen-2-yl)methyl]-3-fluoroazetidine

3-[(5-ethylthiophen-2-yl)methyl]-3-fluoroazetidine (PubChem CID 112563362) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-[(5-ethylthiophen-2-yl)methyl]-3-fluoroazetidine.

Molecular Properties

Compound Name3-[(5-ethylthiophen-2-yl)methyl]-3-fluoroazetidine
PubChem CID112563362
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name3-[(5-ethylthiophen-2-yl)methyl]-3-fluoroazetidine
SMILESCCc1ccc(CC2(F)CNC2)s1
InChIInChI=1S/C10H14FNS/c1-2-8-3-4-9(13-8)5-10(11)6-12-7-10/h3-4,12H,2,5-7H2,1H3
InChIKeyFSMVVBJUKKODPL-UHFFFAOYSA-N
XLogP2.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-bromothiophen-2-yl)methyl]-3-fluoroazetidine
CID 112563459
3-[(5-ethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)azetidine
CID 79460562
2,5-diethylthiophene
CID 521294
3-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylphenyl)azetidine
CID 79460256
3-[(5-ethylthiophen-2-yl)methoxy]-3-methylazetidine
CID 83065911
[4-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methanol
CID 66024976
2-[[1-(bromomethyl)cyclohexyl]methyl]-5-ethylthiophene
CID 66049979
2-[[1-(chloromethyl)cyclobutyl]methyl]-5-ethylthiophene
CID 66034874
3-fluoro-3-[(4-fluorophenyl)methyl]azetidine
CID 112563497
5-[(5-ethylthiophen-2-yl)methyl]-5-methylpyrrolidin-2-one
CID 104687215
1-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-ol
CID 80699590
[4-[(5-ethylthiophen-2-yl)methyl]oxan-4-yl]methanol
CID 66023872

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethylthiophen-2-yl)methyl]-3-fluoroazetidine?
The IUPAC name of 3-[(5-ethylthiophen-2-yl)methyl]-3-fluoroazetidine (CID 112563362) is 3-[(5-ethylthiophen-2-yl)methyl]-3-fluoroazetidine.
What is the SMILES notation for 3-[(5-ethylthiophen-2-yl)methyl]-3-fluoroazetidine?
The canonical SMILES for 3-[(5-ethylthiophen-2-yl)methyl]-3-fluoroazetidine is CCc1ccc(CC2(F)CNC2)s1.
What is the InChIKey of 3-[(5-ethylthiophen-2-yl)methyl]-3-fluoroazetidine?
The InChIKey is FSMVVBJUKKODPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNS/c1-2-8-3-4-9(13-8)5-10(11)6-12-7-10/h3-4,12H,2,5-7H2,1H3.
What are the key properties of 3-[(5-ethylthiophen-2-yl)methyl]-3-fluoroazetidine?
3-[(5-ethylthiophen-2-yl)methyl]-3-fluoroazetidine has a molecular weight of 199.29 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethylthiophen-2-yl)methyl]-3-fluoroazetidine is sourced from PubChem (CID 112563362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).