4-amino-1,1,2-trifluorobutane-1-sulfonic acid

C4H8F3NO3S — CID 171490702

IUPAC4-amino-1,1,2-trifluorobutane-1-sulfonic acid
SMILESNCCC(F)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C4H8F3NO3S/c5-3(1-2-8)4(6,7)12(9,10)11/h3H,1-2,8H2,(H,9,10,11)
InChIKeyVKTVSFUZXRIPRP-UHFFFAOYSA-N
MW207.17 g/mol
LogP0.15
Rot. Bonds4

About 4-amino-1,1,2-trifluorobutane-1-sulfonic acid

4-amino-1,1,2-trifluorobutane-1-sulfonic acid (PubChem CID 171490702) has the molecular formula C4H8F3NO3S and a molecular weight of 207.17 g/mol. Its IUPAC name is 4-amino-1,1,2-trifluorobutane-1-sulfonic acid.

Molecular Properties

Compound Name4-amino-1,1,2-trifluorobutane-1-sulfonic acid
PubChem CID171490702
Molecular FormulaC4H8F3NO3S
Molecular Weight207.17 g/mol
Exact Mass207.02
IUPAC Name4-amino-1,1,2-trifluorobutane-1-sulfonic acid
SMILESNCCC(F)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C4H8F3NO3S/c5-3(1-2-8)4(6,7)12(9,10)11/h3H,1-2,8H2,(H,9,10,11)
InChIKeyVKTVSFUZXRIPRP-UHFFFAOYSA-N
XLogP0.15
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-Amino-1,1-difluoropropane-1-sulfonic acid
CID 11499304
3-Amino-1,1,2,2-tetrafluoropropane-1-sulfonic acid
CID 58691930
3-Amino-1,1-difluoropropane-1-sulfinic acid
CID 58692001
Butan-1-amine;trifluoromethanesulfonic acid
CID 71816272
Butylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 87079515
Butylazanium;trifluoromethanesulfonate
CID 87424834
2-(Butylsulfamoyl)-1,1,2,2-tetrafluoroethanesulfonic acid
CID 88487579
N-butyl-1,1,2,2,3-pentafluoropropane-1-sulfonamide
CID 123332030
N-butyl-1,1,2-trifluoroethanesulfonamide
CID 123865655
N-butyl-1,1,2,2,2-pentafluoroethanesulfonamide
CID 129294810
N-butyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
CID 129294814
Ethylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 157659317

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,1,2-trifluorobutane-1-sulfonic acid?
The IUPAC name of 4-amino-1,1,2-trifluorobutane-1-sulfonic acid (CID 171490702) is 4-amino-1,1,2-trifluorobutane-1-sulfonic acid.
What is the SMILES notation for 4-amino-1,1,2-trifluorobutane-1-sulfonic acid?
The canonical SMILES for 4-amino-1,1,2-trifluorobutane-1-sulfonic acid is NCCC(F)C(F)(F)S(=O)(=O)O.
What is the InChIKey of 4-amino-1,1,2-trifluorobutane-1-sulfonic acid?
The InChIKey is VKTVSFUZXRIPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO3S/c5-3(1-2-8)4(6,7)12(9,10)11/h3H,1-2,8H2,(H,9,10,11).
What are the key properties of 4-amino-1,1,2-trifluorobutane-1-sulfonic acid?
4-amino-1,1,2-trifluorobutane-1-sulfonic acid has a molecular weight of 207.17 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,1,2-trifluorobutane-1-sulfonic acid is sourced from PubChem (CID 171490702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).