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

C8H15F2NO2S — CID 105484623

IUPAC3-(1,1-dioxothiolan-3-yl)-3,3-difluoro-N-methylpropan-1-amine
SMILESCNCCC(F)(F)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H15F2NO2S/c1-11-4-3-8(9,10)7-2-5-14(12,13)6-7/h7,11H,2-6H2,1H3
InChIKeyPDXGFKKLCSFHHX-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.67
Rot. Bonds4

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

3-(1,1-dioxothiolan-3-yl)-3,3-difluoro-N-methylpropan-1-amine (PubChem CID 105484623) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-(1,1-dioxothiolan-3-yl)-3,3-difluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-3-yl)-3,3-difluoro-N-methylpropan-1-amine
PubChem CID105484623
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC Name3-(1,1-dioxothiolan-3-yl)-3,3-difluoro-N-methylpropan-1-amine
SMILESCNCCC(F)(F)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H15F2NO2S/c1-11-4-3-8(9,10)7-2-5-14(12,13)6-7/h7,11H,2-6H2,1H3
InChIKeyPDXGFKKLCSFHHX-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

3-[(4,4-difluorocyclohexyl)methylsulfonyl]-N-methylpropan-1-amine
CID 70652457
1,1-dioxo-N-[3-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 55158734
1,1-dioxo-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 55160850
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 61057655
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-difluoroethanamine
CID 61058644
N-[2-(1,1-dioxothiolan-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62987551
1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 63162770
N-[(1,1-dioxothiolan-3-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 64554599
3-methyl-1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 64755065
N-[(1,1-dioxothiolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755080
3-methyl-1,1-dioxo-N-[3-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 64758178
N-[(1,1-dioxothiolan-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758198

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiolan-3-yl)-3,3-difluoro-N-methylpropan-1-amine?
The IUPAC name of 3-(1,1-dioxothiolan-3-yl)-3,3-difluoro-N-methylpropan-1-amine (CID 105484623) is 3-(1,1-dioxothiolan-3-yl)-3,3-difluoro-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1,1-dioxothiolan-3-yl)-3,3-difluoro-N-methylpropan-1-amine?
The canonical SMILES for 3-(1,1-dioxothiolan-3-yl)-3,3-difluoro-N-methylpropan-1-amine is CNCCC(F)(F)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-(1,1-dioxothiolan-3-yl)-3,3-difluoro-N-methylpropan-1-amine?
The InChIKey is PDXGFKKLCSFHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c1-11-4-3-8(9,10)7-2-5-14(12,13)6-7/h7,11H,2-6H2,1H3.
What are the key properties of 3-(1,1-dioxothiolan-3-yl)-3,3-difluoro-N-methylpropan-1-amine?
3-(1,1-dioxothiolan-3-yl)-3,3-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)-3,3-difluoro-N-methylpropan-1-amine is sourced from PubChem (CID 105484623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).