3-(2,2-difluoropropyl)-1,1-dioxothiolan-3-amine

C7H13F2NO2S — CID 115028281

IUPAC3-(2,2-difluoropropyl)-1,1-dioxothiolan-3-amine
SMILESCC(F)(F)CC1(N)CCS(=O)(=O)C1
InChIInChI=1S/C7H13F2NO2S/c1-6(8,9)4-7(10)2-3-13(11,12)5-7/h2-5,10H2,1H3
InChIKeyDXWABFYTCWAOFU-UHFFFAOYSA-N
MW213.25 g/mol
LogP0.55
Rot. Bonds2

About 3-(2,2-difluoropropyl)-1,1-dioxothiolan-3-amine

3-(2,2-difluoropropyl)-1,1-dioxothiolan-3-amine (PubChem CID 115028281) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is 3-(2,2-difluoropropyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name3-(2,2-difluoropropyl)-1,1-dioxothiolan-3-amine
PubChem CID115028281
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC Name3-(2,2-difluoropropyl)-1,1-dioxothiolan-3-amine
SMILESCC(F)(F)CC1(N)CCS(=O)(=O)C1
InChIInChI=1S/C7H13F2NO2S/c1-6(8,9)4-7(10)2-3-13(11,12)5-7/h2-5,10H2,1H3
InChIKeyDXWABFYTCWAOFU-UHFFFAOYSA-N
XLogP0.55
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dioxo-3-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 105470640
3-[(2-methylpropan-2-yl)oxymethyl]-1,1-dioxothiolan-3-amine
CID 130564508
1,1-dioxo-3-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine
CID 115338117
3-(2,2-difluoropropyl)-1,1-dioxothiane-3-carboxylic acid
CID 115047747
3-(cyclohexylmethyl)-1,1-dioxothiolan-3-amine
CID 115338022
3-[(3,4-difluorophenyl)methyl]-1,1-dioxothiolan-3-amine
CID 82934572
tert-butyl 2-(3-amino-1,1-dioxothian-3-yl)acetate
CID 115049141
N-ethyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine
CID 66206185
1,1-dioxo-3-(2,2,2-trifluoroethyl)thiolane-3-carboxylic acid
CID 115337894
3-[(4-chloro-2-fluorophenyl)methyl]-1,1-dioxothiolan-3-amine
CID 114861676
3-(furan-2-ylmethyl)-1,1-dioxothiolan-3-amine
CID 115338002
[1,1-dioxo-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol
CID 63166303

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoropropyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of 3-(2,2-difluoropropyl)-1,1-dioxothiolan-3-amine (CID 115028281) is 3-(2,2-difluoropropyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 3-(2,2-difluoropropyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for 3-(2,2-difluoropropyl)-1,1-dioxothiolan-3-amine is CC(F)(F)CC1(N)CCS(=O)(=O)C1.
What is the InChIKey of 3-(2,2-difluoropropyl)-1,1-dioxothiolan-3-amine?
The InChIKey is DXWABFYTCWAOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-6(8,9)4-7(10)2-3-13(11,12)5-7/h2-5,10H2,1H3.
What are the key properties of 3-(2,2-difluoropropyl)-1,1-dioxothiolan-3-amine?
3-(2,2-difluoropropyl)-1,1-dioxothiolan-3-amine has a molecular weight of 213.25 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoropropyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 115028281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).