3-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylpropan-1-amine

C8H15F2NO2S — CID 105484629

IUPAC3-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylpropan-1-amine
SMILESCNCC(F)(F)CC1CCS(=O)(=O)C1
InChIInChI=1S/C8H15F2NO2S/c1-11-6-8(9,10)4-7-2-3-14(12,13)5-7/h7,11H,2-6H2,1H3
InChIKeyIMTQHXQMTHPIRV-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.67
Rot. Bonds4

About 3-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylpropan-1-amine

3-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylpropan-1-amine (PubChem CID 105484629) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylpropan-1-amine
PubChem CID105484629
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC Name3-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylpropan-1-amine
SMILESCNCC(F)(F)CC1CCS(=O)(=O)C1
InChIInChI=1S/C8H15F2NO2S/c1-11-6-8(9,10)4-7-2-3-14(12,13)5-7/h7,11H,2-6H2,1H3
InChIKeyIMTQHXQMTHPIRV-UHFFFAOYSA-N
XLogP0.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,1-dioxothiolan-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62987551
N-[(1,1-dioxothiolan-3-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 64554599
4-(Difluoromethyl)-1lambda6-thia-9-azaspiro[4.6]undecane 1,1-dioxide
CID 71305913
4-(Difluoromethyl)-1lambda6-thia-8-azaspiro[4.5]decane 1,1-dioxide
CID 71306011
4-(Difluoromethyl)-1lambda6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
CID 71306075
8-(Difluoromethyl)-5lambda6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 71306117
(4S,5R)-4-(difluoromethyl)-1lambda6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
CID 97112262
1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 105156305
1-(1,1-dioxothiolan-3-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 105156428
1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 105156458
1-(1,1-dioxothiolan-3-yl)-6,6,6-trifluoro-N-propylhexan-2-amine
CID 105174291
1-(1,1-dioxothiolan-3-yl)-N-ethyl-6,6,6-trifluorohexan-2-amine
CID 105174416

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylpropan-1-amine?
The IUPAC name of 3-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylpropan-1-amine (CID 105484629) is 3-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylpropan-1-amine?
The canonical SMILES for 3-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylpropan-1-amine is CNCC(F)(F)CC1CCS(=O)(=O)C1.
What is the InChIKey of 3-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylpropan-1-amine?
The InChIKey is IMTQHXQMTHPIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c1-11-6-8(9,10)4-7-2-3-14(12,13)5-7/h7,11H,2-6H2,1H3.
What are the key properties of 3-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylpropan-1-amine?
3-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylpropan-1-amine has a molecular weight of 227.28 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylpropan-1-amine is sourced from PubChem (CID 105484629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).