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

C7H12F3NO3S — CID 63899617

IUPAC3-[(1,1-dioxothiolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESO=S1(=O)CCC(NCC(O)C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO3S/c8-7(9,10)6(12)3-11-5-1-2-15(13,14)4-5/h5-6,11-12H,1-4H2
InChIKeyGVACASQZFUTYOL-UHFFFAOYSA-N
MW247.24 g/mol
LogP-0.31
Rot. Bonds3

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

3-[(1,1-dioxothiolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63899617) has the molecular formula C7H12F3NO3S and a molecular weight of 247.24 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID63899617
Molecular FormulaC7H12F3NO3S
Molecular Weight247.24 g/mol
Exact Mass247.05
IUPAC Name3-[(1,1-dioxothiolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESO=S1(=O)CCC(NCC(O)C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO3S/c8-7(9,10)6(12)3-11-5-1-2-15(13,14)4-5/h5-6,11-12H,1-4H2
InChIKeyGVACASQZFUTYOL-UHFFFAOYSA-N
XLogP-0.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol (CID 63899617) is 3-[(1,1-dioxothiolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol is O=S1(=O)CCC(NCC(O)C(F)(F)F)C1.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is GVACASQZFUTYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3S/c8-7(9,10)6(12)3-11-5-1-2-15(13,14)4-5/h5-6,11-12H,1-4H2.
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(1,1-dioxothiolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 247.24 g/mol, XLogP of -0.31, 3 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]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63899617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).