1-(difluoromethylsulfonyl)azetidin-3-amine

C4H8F2N2O2S — CID 63764881

IUPAC1-(difluoromethylsulfonyl)azetidin-3-amine
SMILESNC1CN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C4H8F2N2O2S/c5-4(6)11(9,10)8-1-3(7)2-8/h3-4H,1-2,7H2
InChIKeySSGBPMXXOQGEKH-UHFFFAOYSA-N
MW186.18 g/mol
LogP-0.82
Rot. Bonds2

About 1-(difluoromethylsulfonyl)azetidin-3-amine

1-(difluoromethylsulfonyl)azetidin-3-amine (PubChem CID 63764881) has the molecular formula C4H8F2N2O2S and a molecular weight of 186.18 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)azetidin-3-amine
PubChem CID63764881
Molecular FormulaC4H8F2N2O2S
Molecular Weight186.18 g/mol
Exact Mass186.03
IUPAC Name1-(difluoromethylsulfonyl)azetidin-3-amine
SMILESNC1CN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C4H8F2N2O2S/c5-4(6)11(9,10)8-1-3(7)2-8/h3-4H,1-2,7H2
InChIKeySSGBPMXXOQGEKH-UHFFFAOYSA-N
XLogP-0.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)azetidin-3-amine?
The IUPAC name of 1-(difluoromethylsulfonyl)azetidin-3-amine (CID 63764881) is 1-(difluoromethylsulfonyl)azetidin-3-amine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)azetidin-3-amine?
The canonical SMILES for 1-(difluoromethylsulfonyl)azetidin-3-amine is NC1CN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of 1-(difluoromethylsulfonyl)azetidin-3-amine?
The InChIKey is SSGBPMXXOQGEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2O2S/c5-4(6)11(9,10)8-1-3(7)2-8/h3-4H,1-2,7H2.
What are the key properties of 1-(difluoromethylsulfonyl)azetidin-3-amine?
1-(difluoromethylsulfonyl)azetidin-3-amine has a molecular weight of 186.18 g/mol, XLogP of -0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)azetidin-3-amine is sourced from PubChem (CID 63764881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).