3-(3-fluoropropylsulfonylmethyl)azetidine

C7H14FNO2S — CID 81196939

IUPAC3-(3-fluoropropylsulfonylmethyl)azetidine
SMILESO=S(=O)(CCCF)CC1CNC1
InChIInChI=1S/C7H14FNO2S/c8-2-1-3-12(10,11)6-7-4-9-5-7/h7,9H,1-6H2
InChIKeyIEVLEMMDBNASCX-UHFFFAOYSA-N
MW195.26 g/mol
LogP-0.02
Rot. Bonds5

About 3-(3-fluoropropylsulfonylmethyl)azetidine

3-(3-fluoropropylsulfonylmethyl)azetidine (PubChem CID 81196939) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-(3-fluoropropylsulfonylmethyl)azetidine.

Molecular Properties

Compound Name3-(3-fluoropropylsulfonylmethyl)azetidine
PubChem CID81196939
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name3-(3-fluoropropylsulfonylmethyl)azetidine
SMILESO=S(=O)(CCCF)CC1CNC1
InChIInChI=1S/C7H14FNO2S/c8-2-1-3-12(10,11)6-7-4-9-5-7/h7,9H,1-6H2
InChIKeyIEVLEMMDBNASCX-UHFFFAOYSA-N
XLogP-0.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropylsulfonylmethyl)azetidine?
The IUPAC name of 3-(3-fluoropropylsulfonylmethyl)azetidine (CID 81196939) is 3-(3-fluoropropylsulfonylmethyl)azetidine.
What is the SMILES notation for 3-(3-fluoropropylsulfonylmethyl)azetidine?
The canonical SMILES for 3-(3-fluoropropylsulfonylmethyl)azetidine is O=S(=O)(CCCF)CC1CNC1.
What is the InChIKey of 3-(3-fluoropropylsulfonylmethyl)azetidine?
The InChIKey is IEVLEMMDBNASCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c8-2-1-3-12(10,11)6-7-4-9-5-7/h7,9H,1-6H2.
What are the key properties of 3-(3-fluoropropylsulfonylmethyl)azetidine?
3-(3-fluoropropylsulfonylmethyl)azetidine has a molecular weight of 195.26 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropylsulfonylmethyl)azetidine is sourced from PubChem (CID 81196939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).