3-[(3,4-difluorophenyl)sulfanylmethyl]azetidine

C10H11F2NS — CID 130531002

IUPAC3-[(3,4-difluorophenyl)sulfanylmethyl]azetidine
SMILESFc1ccc(SCC2CNC2)cc1F
InChIInChI=1S/C10H11F2NS/c11-9-2-1-8(3-10(9)12)14-6-7-4-13-5-7/h1-3,7,13H,4-6H2
InChIKeyWGYFMLXBBJYHLB-UHFFFAOYSA-N
MW215.27 g/mol
LogP2.28
Rot. Bonds3

About 3-[(3,4-difluorophenyl)sulfanylmethyl]azetidine

3-[(3,4-difluorophenyl)sulfanylmethyl]azetidine (PubChem CID 130531002) has the molecular formula C10H11F2NS and a molecular weight of 215.27 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfanylmethyl]azetidine.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfanylmethyl]azetidine
PubChem CID130531002
Molecular FormulaC10H11F2NS
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name3-[(3,4-difluorophenyl)sulfanylmethyl]azetidine
SMILESFc1ccc(SCC2CNC2)cc1F
InChIInChI=1S/C10H11F2NS/c11-9-2-1-8(3-10(9)12)14-6-7-4-13-5-7/h1-3,7,13H,4-6H2
InChIKeyWGYFMLXBBJYHLB-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chlorophenyl)sulfanylmethyl]azetidine
CID 115070679
3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)azetidine
CID 117032101
4-[2-(azetidin-3-yl)ethylsulfanyl]-2-fluoroaniline
CID 107392103
3-[(3-methoxyphenyl)sulfanylmethyl]azetidine
CID 115070683
2-(3,4-difluorophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119558141
2-(azetidin-3-ylmethylsulfanyl)-4-fluoroaniline
CID 130531043
2-(azetidin-3-ylmethylsulfanyl)-N-(3,4-difluorophenyl)acetamide
CID 66289509
2-(3,4-difluorophenyl)sulfanylethanol
CID 43392369
3-[(2,5-difluorophenyl)sulfanylmethyl]pyrrolidine
CID 62372661
azetidin-3-yl-(3,4-difluorophenyl)methanamine
CID 116935312
4-cyclopropylsulfanyl-1,2-difluorobenzene
CID 130693987
3-[(4-methoxy-3-methylphenyl)sulfanylmethyl]pyrrolidine
CID 117033074

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfanylmethyl]azetidine?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfanylmethyl]azetidine (CID 130531002) is 3-[(3,4-difluorophenyl)sulfanylmethyl]azetidine.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfanylmethyl]azetidine?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfanylmethyl]azetidine is Fc1ccc(SCC2CNC2)cc1F.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfanylmethyl]azetidine?
The InChIKey is WGYFMLXBBJYHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NS/c11-9-2-1-8(3-10(9)12)14-6-7-4-13-5-7/h1-3,7,13H,4-6H2.
What are the key properties of 3-[(3,4-difluorophenyl)sulfanylmethyl]azetidine?
3-[(3,4-difluorophenyl)sulfanylmethyl]azetidine has a molecular weight of 215.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfanylmethyl]azetidine is sourced from PubChem (CID 130531002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).