3-(difluoromethylsulfonyl)-2-methylpropan-1-amine

C5H11F2NO2S — CID 81201719

IUPAC3-(difluoromethylsulfonyl)-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)(=O)C(F)F
InChIInChI=1S/C5H11F2NO2S/c1-4(2-8)3-11(9,10)5(6)7/h4-5H,2-3,8H2,1H3
InChIKeyKBJARPUKUTUWOH-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.22
Rot. Bonds4

About 3-(difluoromethylsulfonyl)-2-methylpropan-1-amine

3-(difluoromethylsulfonyl)-2-methylpropan-1-amine (PubChem CID 81201719) has the molecular formula C5H11F2NO2S and a molecular weight of 187.21 g/mol. Its IUPAC name is 3-(difluoromethylsulfonyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(difluoromethylsulfonyl)-2-methylpropan-1-amine
PubChem CID81201719
Molecular FormulaC5H11F2NO2S
Molecular Weight187.21 g/mol
Exact Mass187.05
IUPAC Name3-(difluoromethylsulfonyl)-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)(=O)C(F)F
InChIInChI=1S/C5H11F2NO2S/c1-4(2-8)3-11(9,10)5(6)7/h4-5H,2-3,8H2,1H3
InChIKeyKBJARPUKUTUWOH-UHFFFAOYSA-N
XLogP0.22
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(difluoromethylsulfonyl)-2-methylpropan-1-amine (CID 81201719) is 3-(difluoromethylsulfonyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(difluoromethylsulfonyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(difluoromethylsulfonyl)-2-methylpropan-1-amine is CC(CN)CS(=O)(=O)C(F)F.
What is the InChIKey of 3-(difluoromethylsulfonyl)-2-methylpropan-1-amine?
The InChIKey is KBJARPUKUTUWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO2S/c1-4(2-8)3-11(9,10)5(6)7/h4-5H,2-3,8H2,1H3.
What are the key properties of 3-(difluoromethylsulfonyl)-2-methylpropan-1-amine?
3-(difluoromethylsulfonyl)-2-methylpropan-1-amine has a molecular weight of 187.21 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonyl)-2-methylpropan-1-amine is sourced from PubChem (CID 81201719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).