1,1-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide

C6H11F2NO3S — CID 115754602

IUPAC1,1-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide
SMILESC=CCN(CCO)S(=O)(=O)C(F)F
InChIInChI=1S/C6H11F2NO3S/c1-2-3-9(4-5-10)13(11,12)6(7)8/h2,6,10H,1,3-5H2
InChIKeyYQBBZQLMFDYOCX-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.02
Rot. Bonds6

About 1,1-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide

1,1-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide (PubChem CID 115754602) has the molecular formula C6H11F2NO3S and a molecular weight of 215.22 g/mol. Its IUPAC name is 1,1-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide
PubChem CID115754602
Molecular FormulaC6H11F2NO3S
Molecular Weight215.22 g/mol
Exact Mass215.04
IUPAC Name1,1-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide
SMILESC=CCN(CCO)S(=O)(=O)C(F)F
InChIInChI=1S/C6H11F2NO3S/c1-2-3-9(4-5-10)13(11,12)6(7)8/h2,6,10H,1,3-5H2
InChIKeyYQBBZQLMFDYOCX-UHFFFAOYSA-N
XLogP0.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.02
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
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutane-1-sulfonamide
CID 113356071
1,1,1-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide
CID 116301175
1-bromo-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide
CID 104099291
1-chloro-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide
CID 116301208

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide (CID 115754602) is 1,1-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide is C=CCN(CCO)S(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide?
The InChIKey is YQBBZQLMFDYOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO3S/c1-2-3-9(4-5-10)13(11,12)6(7)8/h2,6,10H,1,3-5H2.
What are the key properties of 1,1-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide?
1,1-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide has a molecular weight of 215.22 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide is sourced from PubChem (CID 115754602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).