2,2,2-trifluoroethyl N-(1,3-dihydroxypropan-2-yl)sulfamate

C5H10F3NO5S — CID 10610864

IUPAC2,2,2-trifluoroethyl N-(1,3-dihydroxypropan-2-yl)sulfamate
SMILESO=S(=O)(NC(CO)CO)OCC(F)(F)F
InChIInChI=1S/C5H10F3NO5S/c6-5(7,8)3-14-15(12,13)9-4(1-10)2-11/h4,9-11H,1-3H2
InChIKeyLKMHETHKZXNDBJ-UHFFFAOYSA-N
MW253.20 g/mol
LogP-1.25
Rot. Bonds6

About 2,2,2-trifluoroethyl N-(1,3-dihydroxypropan-2-yl)sulfamate

2,2,2-trifluoroethyl N-(1,3-dihydroxypropan-2-yl)sulfamate (PubChem CID 10610864) has the molecular formula C5H10F3NO5S and a molecular weight of 253.20 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(1,3-dihydroxypropan-2-yl)sulfamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(1,3-dihydroxypropan-2-yl)sulfamate
PubChem CID10610864
Molecular FormulaC5H10F3NO5S
Molecular Weight253.20 g/mol
Exact Mass253.02
IUPAC Name2,2,2-trifluoroethyl N-(1,3-dihydroxypropan-2-yl)sulfamate
SMILESO=S(=O)(NC(CO)CO)OCC(F)(F)F
InChIInChI=1S/C5H10F3NO5S/c6-5(7,8)3-14-15(12,13)9-4(1-10)2-11/h4,9-11H,1-3H2
InChIKeyLKMHETHKZXNDBJ-UHFFFAOYSA-N
XLogP-1.25
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(1,3-dihydroxypropan-2-yl)sulfamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(1,3-dihydroxypropan-2-yl)sulfamate (CID 10610864) is 2,2,2-trifluoroethyl N-(1,3-dihydroxypropan-2-yl)sulfamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(1,3-dihydroxypropan-2-yl)sulfamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(1,3-dihydroxypropan-2-yl)sulfamate is O=S(=O)(NC(CO)CO)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(1,3-dihydroxypropan-2-yl)sulfamate?
The InChIKey is LKMHETHKZXNDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO5S/c6-5(7,8)3-14-15(12,13)9-4(1-10)2-11/h4,9-11H,1-3H2.
What are the key properties of 2,2,2-trifluoroethyl N-(1,3-dihydroxypropan-2-yl)sulfamate?
2,2,2-trifluoroethyl N-(1,3-dihydroxypropan-2-yl)sulfamate has a molecular weight of 253.20 g/mol, XLogP of -1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(1,3-dihydroxypropan-2-yl)sulfamate is sourced from PubChem (CID 10610864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).