3-fluoro-1-(thiolan-3-ylmethyl)azetidine

C8H14FNS — CID 130678273

IUPAC3-fluoro-1-(thiolan-3-ylmethyl)azetidine
SMILESFC1CN(CC2CCSC2)C1
InChIInChI=1S/C8H14FNS/c9-8-4-10(5-8)3-7-1-2-11-6-7/h7-8H,1-6H2
InChIKeyRIMCJLYMDGUFCJ-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.39
Rot. Bonds2

About 3-fluoro-1-(thiolan-3-ylmethyl)azetidine

3-fluoro-1-(thiolan-3-ylmethyl)azetidine (PubChem CID 130678273) has the molecular formula C8H14FNS and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-fluoro-1-(thiolan-3-ylmethyl)azetidine.

Molecular Properties

Compound Name3-fluoro-1-(thiolan-3-ylmethyl)azetidine
PubChem CID130678273
Molecular FormulaC8H14FNS
Molecular Weight175.27 g/mol
Exact Mass175.08
IUPAC Name3-fluoro-1-(thiolan-3-ylmethyl)azetidine
SMILESFC1CN(CC2CCSC2)C1
InChIInChI=1S/C8H14FNS/c9-8-4-10(5-8)3-7-1-2-11-6-7/h7-8H,1-6H2
InChIKeyRIMCJLYMDGUFCJ-UHFFFAOYSA-N
XLogP1.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-Ethylsulfanylethyl)-2,2-difluoro-1-methylazetidine
CID 129024828
3-(1-Ethylsulfanylethyl)-1-(3-methylbutyl)azetidine
CID 167098001
1-(Thiolan-3-ylmethyl)azetidine
CID 126994441
3-Propan-2-yl-1-(thiolan-3-ylmethyl)azetidine
CID 127000282

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(thiolan-3-ylmethyl)azetidine?
The IUPAC name of 3-fluoro-1-(thiolan-3-ylmethyl)azetidine (CID 130678273) is 3-fluoro-1-(thiolan-3-ylmethyl)azetidine.
What is the SMILES notation for 3-fluoro-1-(thiolan-3-ylmethyl)azetidine?
The canonical SMILES for 3-fluoro-1-(thiolan-3-ylmethyl)azetidine is FC1CN(CC2CCSC2)C1.
What is the InChIKey of 3-fluoro-1-(thiolan-3-ylmethyl)azetidine?
The InChIKey is RIMCJLYMDGUFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNS/c9-8-4-10(5-8)3-7-1-2-11-6-7/h7-8H,1-6H2.
What are the key properties of 3-fluoro-1-(thiolan-3-ylmethyl)azetidine?
3-fluoro-1-(thiolan-3-ylmethyl)azetidine has a molecular weight of 175.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(thiolan-3-ylmethyl)azetidine is sourced from PubChem (CID 130678273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).