2,2,3,3-tetrafluoropropyl sulfamate

C3H5F4NO3S — CID 130422720

IUPAC2,2,3,3-tetrafluoropropyl sulfamate
SMILESNS(=O)(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C3H5F4NO3S/c4-2(5)3(6,7)1-11-12(8,9)10/h2H,1H2,(H2,8,9,10)
InChIKeyGVFWJQMAFSZLPE-UHFFFAOYSA-N
MW211.14 g/mol
LogP0.11
Rot. Bonds4

About 2,2,3,3-tetrafluoropropyl sulfamate

2,2,3,3-tetrafluoropropyl sulfamate (PubChem CID 130422720) has the molecular formula C3H5F4NO3S and a molecular weight of 211.14 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropyl sulfamate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropyl sulfamate
PubChem CID130422720
Molecular FormulaC3H5F4NO3S
Molecular Weight211.14 g/mol
Exact Mass210.99
IUPAC Name2,2,3,3-tetrafluoropropyl sulfamate
SMILESNS(=O)(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C3H5F4NO3S/c4-2(5)3(6,7)1-11-12(8,9)10/h2H,1H2,(H2,8,9,10)
InChIKeyGVFWJQMAFSZLPE-UHFFFAOYSA-N
XLogP0.11
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetrafluoropropyl sulfamate 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

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
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
2,2,3,3,3-Pentafluoropropyl sulfamate
CID 159437531
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-tetrafluoropropyl sulfamate?
The IUPAC name of 2,2,3,3-tetrafluoropropyl sulfamate (CID 130422720) is 2,2,3,3-tetrafluoropropyl sulfamate.
What is the SMILES notation for 2,2,3,3-tetrafluoropropyl sulfamate?
The canonical SMILES for 2,2,3,3-tetrafluoropropyl sulfamate is NS(=O)(=O)OCC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropyl sulfamate?
The InChIKey is GVFWJQMAFSZLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F4NO3S/c4-2(5)3(6,7)1-11-12(8,9)10/h2H,1H2,(H2,8,9,10).
What are the key properties of 2,2,3,3-tetrafluoropropyl sulfamate?
2,2,3,3-tetrafluoropropyl sulfamate has a molecular weight of 211.14 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropyl sulfamate is sourced from PubChem (CID 130422720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).