(4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine

C5H9F2NO2S — CID 84769609

IUPAC(4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine
SMILESNCC1CS(=O)(=O)CC1(F)F
InChIInChI=1S/C5H9F2NO2S/c6-5(7)3-11(9,10)2-4(5)1-8/h4H,1-3,8H2
InChIKeyFPWXQKGQKWCGER-UHFFFAOYSA-N
MW185.19 g/mol
LogP-0.38
Rot. Bonds1

About (4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine

(4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine (PubChem CID 84769609) has the molecular formula C5H9F2NO2S and a molecular weight of 185.19 g/mol. Its IUPAC name is (4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine.

Molecular Properties

Compound Name(4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine
PubChem CID84769609
Molecular FormulaC5H9F2NO2S
Molecular Weight185.19 g/mol
Exact Mass185.03
IUPAC Name(4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine
SMILESNCC1CS(=O)(=O)CC1(F)F
InChIInChI=1S/C5H9F2NO2S/c6-5(7)3-11(9,10)2-4(5)1-8/h4H,1-3,8H2
InChIKeyFPWXQKGQKWCGER-UHFFFAOYSA-N
XLogP-0.38
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Aminomethyl)-1lambda6-thiolane-1,1-dione
CID 2772225
3-(Aminomethyl)-1lambda6-thiolane-1,1-dione hydrochloride
CID 11286884
3-(2,2,2-Trifluoroethylsulfonyl)propan-1-amine
CID 58684065
2-(4,4,4-Trifluorobutylsulfonyl)ethanamine
CID 58684282
3-(4,4,4-Trifluorobutylsulfonyl)propan-1-amine
CID 58684401
3-(2,2-Difluoroethylsulfonyl)propan-1-amine
CID 58684666
2-(3,3,3-Trifluoropropylsulfonyl)ethanamine
CID 58684689
3-(3,3,3-Trifluoropropylsulfonyl)propan-1-amine
CID 58685040
3-(3,3,3-Trifluoropropylsulfonyl)butan-1-amine
CID 81195047
4-Trifluoromethanesulfonylbutan-1-amine
CID 87227626
3-Methyl-4-(3,3,4,4,4-pentafluorobutylsulfonyl)butan-1-amine
CID 142791533
3-Methyl-4-(3,3,3-trifluoropropylsulfonyl)butan-1-amine
CID 142791535

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine?
The IUPAC name of (4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine (CID 84769609) is (4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine.
What is the SMILES notation for (4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine?
The canonical SMILES for (4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine is NCC1CS(=O)(=O)CC1(F)F.
What is the InChIKey of (4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine?
The InChIKey is FPWXQKGQKWCGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2S/c6-5(7)3-11(9,10)2-4(5)1-8/h4H,1-3,8H2.
What are the key properties of (4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine?
(4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine has a molecular weight of 185.19 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine is sourced from PubChem (CID 84769609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).