4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutane-1-sulfonamide

C9H16F3NO3S — CID 113356071

IUPAC4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutane-1-sulfonamide
SMILESC=CCN(CCO)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H16F3NO3S/c1-2-5-13(6-7-14)17(15,16)8-3-4-9(10,11)12/h2,14H,1,3-8H2
InChIKeyTYKGKRGPFOVSBJ-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.14
Rot. Bonds8

About 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutane-1-sulfonamide

4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutane-1-sulfonamide (PubChem CID 113356071) has the molecular formula C9H16F3NO3S and a molecular weight of 275.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutane-1-sulfonamide
PubChem CID113356071
Molecular FormulaC9H16F3NO3S
Molecular Weight275.29 g/mol
Exact Mass275.08
IUPAC Name4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutane-1-sulfonamide
SMILESC=CCN(CCO)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H16F3NO3S/c1-2-5-13(6-7-14)17(15,16)8-3-4-9(10,11)12/h2,14H,1,3-8H2
InChIKeyTYKGKRGPFOVSBJ-UHFFFAOYSA-N
XLogP1.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide
CID 107483514
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)prop-2-ene-1-sulfonamide
CID 107483709
3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpropane-1-sulfonamide
CID 112407884
1,1-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide
CID 115754602
1,1,1-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide
CID 116301175
Fluoroform;2-[2-hydroxyethyl(methyl)amino]ethanol;prop-2-ene-1-sulfonic acid
CID 174952968
2-hydroxy-N,N-bis(prop-2-enyl)ethanesulfonamide
CID 65751277
3-hydroxy-N,N-bis(prop-2-enyl)propane-1-sulfonamide
CID 65751634
N-(2-hydroxyethyl)-N-propan-2-ylprop-2-ene-1-sulfonamide
CID 79672497
N-(2-hydroxyethyl)-N-propylprop-2-ene-1-sulfonamide
CID 79673290
N-butyl-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide
CID 79673291
N-(2-hydroxyethyl)-N-prop-2-enylethanesulfonamide
CID 96221828

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutane-1-sulfonamide (CID 113356071) is 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutane-1-sulfonamide is C=CCN(CCO)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutane-1-sulfonamide?
The InChIKey is TYKGKRGPFOVSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3S/c1-2-5-13(6-7-14)17(15,16)8-3-4-9(10,11)12/h2,14H,1,3-8H2.
What are the key properties of 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutane-1-sulfonamide?
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutane-1-sulfonamide has a molecular weight of 275.29 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutane-1-sulfonamide is sourced from PubChem (CID 113356071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).