1,1,1,3,3,3-hexafluoropropan-2-yl sulfamate

C3H3F6NO3S — CID 11390955

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl sulfamate
SMILESNS(=O)(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H3F6NO3S/c4-2(5,6)1(3(7,8)9)13-14(10,11)12/h1H,(H2,10,11,12)
InChIKeyMIEKENGUIASFSB-UHFFFAOYSA-N
MW247.12 g/mol
LogP0.70
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoropropan-2-yl sulfamate

1,1,1,3,3,3-hexafluoropropan-2-yl sulfamate (PubChem CID 11390955) has the molecular formula C3H3F6NO3S and a molecular weight of 247.12 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl sulfamate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl sulfamate
PubChem CID11390955
Molecular FormulaC3H3F6NO3S
Molecular Weight247.12 g/mol
Exact Mass246.97
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl sulfamate
SMILESNS(=O)(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H3F6NO3S/c4-2(5,6)1(3(7,8)9)13-14(10,11)12/h1H,(H2,10,11,12)
InChIKeyMIEKENGUIASFSB-UHFFFAOYSA-N
XLogP0.70
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Imidodisulfuric acid bis[1-(trifluoromethyl)-2,2,2-trifluoroethyl] ester
CID 10909449
2,2,3,3-Tetrafluoropropyl sulfamate
CID 130422720
1,1,1,2,3,3-Hexafluoropropan-2-yl sulfamate
CID 138522058
1,1,1-Trifluoropropan-2-yl sulfamate
CID 152618164
1,1,1,3,3,3-hexafluoropropan-2-yl N-fluorosulfonylsulfamate
CID 164935699
2,2,3,3,3-Pentafluoropropyl sulfamate
CID 159437531
1,2,2,2-Tetrafluoroethyl sulfamate
CID 165637470
2,3,3,3-Tetrafluoropropyl sulfamate
CID 165845252
CID 179082454
CID 179082454

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl sulfamate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl sulfamate (CID 11390955) is 1,1,1,3,3,3-hexafluoropropan-2-yl sulfamate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl sulfamate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl sulfamate is NS(=O)(=O)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl sulfamate?
The InChIKey is MIEKENGUIASFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F6NO3S/c4-2(5,6)1(3(7,8)9)13-14(10,11)12/h1H,(H2,10,11,12).
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl sulfamate?
1,1,1,3,3,3-hexafluoropropan-2-yl sulfamate has a molecular weight of 247.12 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl sulfamate is sourced from PubChem (CID 11390955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).