3-[(1,1-dioxothiolan-3-yl)amino]-2,2-difluoropropan-1-ol

C7H13F2NO3S — CID 104862624

IUPAC3-[(1,1-dioxothiolan-3-yl)amino]-2,2-difluoropropan-1-ol
SMILESO=S1(=O)CCC(NCC(F)(F)CO)C1
InChIInChI=1S/C7H13F2NO3S/c8-7(9,5-11)4-10-6-1-2-14(12,13)3-6/h6,10-11H,1-5H2
InChIKeyKRTVEAFHBJFINQ-UHFFFAOYSA-N
MW229.25 g/mol
LogP-0.61
Rot. Bonds4

About 3-[(1,1-dioxothiolan-3-yl)amino]-2,2-difluoropropan-1-ol

3-[(1,1-dioxothiolan-3-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 104862624) has the molecular formula C7H13F2NO3S and a molecular weight of 229.25 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID104862624
Molecular FormulaC7H13F2NO3S
Molecular Weight229.25 g/mol
Exact Mass229.06
IUPAC Name3-[(1,1-dioxothiolan-3-yl)amino]-2,2-difluoropropan-1-ol
SMILESO=S1(=O)CCC(NCC(F)(F)CO)C1
InChIInChI=1S/C7H13F2NO3S/c8-7(9,5-11)4-10-6-1-2-14(12,13)3-6/h6,10-11H,1-5H2
InChIKeyKRTVEAFHBJFINQ-UHFFFAOYSA-N
XLogP-0.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(1,1-dioxothiolan-3-yl)amino]-2,2-difluoropropan-1-ol 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-[(1,1-dioxothian-3-yl)amino]-2,2-difluoropropan-1-ol
CID 104860393
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7058904
2-[(1,1-dioxothiolan-3-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107851114
N-(2,2-dimethylbutyl)-1,1-dioxothiolan-3-amine
CID 103698424
N-(2,2-difluoro-2-phenylethyl)-1,1-dioxothiolan-3-amine
CID 116788690
3-[(1,1-dioxothian-4-yl)amino]-2-methylpropane-1,2-diol
CID 66168318
N-(3-fluoropropyl)-1,1-dioxothiolan-3-amine
CID 81105550
2-[[(1,1-dioxothian-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 81413030
1,1-dioxo-N-[3-(2,2,2-trifluoroethoxy)propyl]thiolan-3-amine
CID 54962383
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine
CID 2772236
N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 61057897
N-(3,3-dimethylbutyl)-1,1-dioxothiolan-3-amine
CID 60683378

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)amino]-2,2-difluoropropan-1-ol (CID 104862624) is 3-[(1,1-dioxothiolan-3-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)amino]-2,2-difluoropropan-1-ol is O=S1(=O)CCC(NCC(F)(F)CO)C1.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is KRTVEAFHBJFINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO3S/c8-7(9,5-11)4-10-6-1-2-14(12,13)3-6/h6,10-11H,1-5H2.
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)amino]-2,2-difluoropropan-1-ol?
3-[(1,1-dioxothiolan-3-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 229.25 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-3-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104862624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).