2,2,3,3,3-pentafluoropropyl sulfamate

C3H4F5NO3S — CID 159437531

IUPAC2,2,3,3,3-pentafluoropropyl sulfamate
SMILESNS(=O)(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C3H4F5NO3S/c4-2(5,3(6,7)8)1-12-13(9,10)11/h1H2,(H2,9,10,11)
InChIKeyLRTMAHVWHXKIND-UHFFFAOYSA-N
MW229.13 g/mol
LogP0.40
Rot. Bonds3

About 2,2,3,3,3-pentafluoropropyl sulfamate

2,2,3,3,3-pentafluoropropyl sulfamate (PubChem CID 159437531) has the molecular formula C3H4F5NO3S and a molecular weight of 229.13 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl sulfamate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl sulfamate
PubChem CID159437531
Molecular FormulaC3H4F5NO3S
Molecular Weight229.13 g/mol
Exact Mass228.98
IUPAC Name2,2,3,3,3-pentafluoropropyl sulfamate
SMILESNS(=O)(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C3H4F5NO3S/c4-2(5,3(6,7)8)1-12-13(9,10)11/h1H2,(H2,9,10,11)
InChIKeyLRTMAHVWHXKIND-UHFFFAOYSA-N
XLogP0.40
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.13
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1,3,3,3-Hexafluoropropan-2-yl sulfamate
CID 11390955
2,2,2-Trifluoroethyl sulfamate
CID 13360355
2,2-Difluoroethyl sulfamate
CID 57785155
2,2,3,3,3-pentafluoropropyl N-(2,2,3,3,3-pentafluoropropoxysulfonyl)sulfamate
CID 18003740
3,3'-[Iminobis(sulfonyloxy)]bis(1,1,2,2-tetrafluoropropane)
CID 18003741
1,2,2-Trifluoroethyl sulfamate
CID 88169268
2,2,3,3-Tetrafluoropropyl sulfamate
CID 130422720
Azanium 2,2,3,3-tetrafluoropropyl sulfate
CID 140140697
2,2,3,3-tetrafluoropropyl N-fluorosulfonylsulfamate
CID 164935704
2,2,3,3,4,4,5,5-Octafluoropentyl sulfamate
CID 152223376
3,3,3-Trifluoropropyl sulfamate
CID 165636648
1,2,2,2-Tetrafluoroethyl sulfamate
CID 165637470

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropyl sulfamate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl sulfamate (CID 159437531) is 2,2,3,3,3-pentafluoropropyl sulfamate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl sulfamate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl sulfamate is NS(=O)(=O)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl sulfamate?
The InChIKey is LRTMAHVWHXKIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F5NO3S/c4-2(5,3(6,7)8)1-12-13(9,10)11/h1H2,(H2,9,10,11).
What are the key properties of 2,2,3,3,3-pentafluoropropyl sulfamate?
2,2,3,3,3-pentafluoropropyl sulfamate has a molecular weight of 229.13 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl sulfamate is sourced from PubChem (CID 159437531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).