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

C5H10ClF2NO2S — CID 105478552

IUPAC(4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine;hydrochloride
SMILESCl.NCC1CS(=O)(=O)CC1(F)F
InChIInChI=1S/C5H9F2NO2S.ClH/c6-5(7)3-11(9,10)2-4(5)1-8;/h4H,1-3,8H2;1H
InChIKeyXQUIIYCMVDXOID-UHFFFAOYSA-N
MW221.66 g/mol
LogP0.05
Rot. Bonds1

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

(4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine;hydrochloride (PubChem CID 105478552) has the molecular formula C5H10ClF2NO2S and a molecular weight of 221.66 g/mol. Its IUPAC name is (4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine;hydrochloride
PubChem CID105478552
Molecular FormulaC5H10ClF2NO2S
Molecular Weight221.66 g/mol
Exact Mass221.01
IUPAC Name(4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine;hydrochloride
SMILESCl.NCC1CS(=O)(=O)CC1(F)F
InChIInChI=1S/C5H9F2NO2S.ClH/c6-5(7)3-11(9,10)2-4(5)1-8;/h4H,1-3,8H2;1H
InChIKeyXQUIIYCMVDXOID-UHFFFAOYSA-N
XLogP0.05
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine;hydrochloride 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-(2-Aminoethyl)-1lambda6-thiolane-1,1-dione hydrochloride
CID 200360
3-(Aminomethyl)-1lambda6-thiolane-1,1-dione
CID 2772225
3-(Aminomethyl)-1lambda6-thiolane-1,1-dione hydrochloride
CID 11286884
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
3-Methyl-4-(4,4,4-trifluorobutylsulfonyl)butan-1-amine
CID 142791542
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-[(1,1-dioxothiolan-3-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 64554599
4,4,4-Trifluoro-3-(2-methylpropylsulfonyl)butan-1-amine
CID 64699419
2-Methyl-3-(2,2,2-trifluoroethylsulfonyl)propan-1-amine
CID 81196236
3-(2,2-Difluoroethylsulfonyl)-2-methylpropan-1-amine
CID 81197861

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine;hydrochloride?
The IUPAC name of (4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine;hydrochloride (CID 105478552) is (4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine;hydrochloride?
The canonical SMILES for (4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine;hydrochloride is Cl.NCC1CS(=O)(=O)CC1(F)F.
What is the InChIKey of (4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine;hydrochloride?
The InChIKey is XQUIIYCMVDXOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2S.ClH/c6-5(7)3-11(9,10)2-4(5)1-8;/h4H,1-3,8H2;1H.
What are the key properties of (4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine;hydrochloride?
(4,4-difluoro-1,1-dioxothiolan-3-yl)methanamine;hydrochloride has a molecular weight of 221.66 g/mol, XLogP of 0.05, 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;hydrochloride is sourced from PubChem (CID 105478552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).