1,3-difluoro-2-(fluoromethyl)-N-prop-2-ynylpropane-2-sulfonamide

C7H10F3NO2S — CID 156771288

IUPAC1,3-difluoro-2-(fluoromethyl)-N-prop-2-ynylpropane-2-sulfonamide
SMILESC#CCNS(=O)(=O)C(CF)(CF)CF
InChIInChI=1S/C7H10F3NO2S/c1-2-3-11-14(12,13)7(4-8,5-9)6-10/h1,11H,3-6H2
InChIKeyLYOIXEFXNWIFNN-UHFFFAOYSA-N
MW229.22 g/mol
LogP0.19
Rot. Bonds6

About 1,3-difluoro-2-(fluoromethyl)-N-prop-2-ynylpropane-2-sulfonamide

1,3-difluoro-2-(fluoromethyl)-N-prop-2-ynylpropane-2-sulfonamide (PubChem CID 156771288) has the molecular formula C7H10F3NO2S and a molecular weight of 229.22 g/mol. Its IUPAC name is 1,3-difluoro-2-(fluoromethyl)-N-prop-2-ynylpropane-2-sulfonamide.

Molecular Properties

Compound Name1,3-difluoro-2-(fluoromethyl)-N-prop-2-ynylpropane-2-sulfonamide
PubChem CID156771288
Molecular FormulaC7H10F3NO2S
Molecular Weight229.22 g/mol
Exact Mass229.04
IUPAC Name1,3-difluoro-2-(fluoromethyl)-N-prop-2-ynylpropane-2-sulfonamide
SMILESC#CCNS(=O)(=O)C(CF)(CF)CF
InChIInChI=1S/C7H10F3NO2S/c1-2-3-11-14(12,13)7(4-8,5-9)6-10/h1,11H,3-6H2
InChIKeyLYOIXEFXNWIFNN-UHFFFAOYSA-N
XLogP0.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-(fluoromethyl)-N-prop-2-ynylpropane-2-sulfonamide?
The IUPAC name of 1,3-difluoro-2-(fluoromethyl)-N-prop-2-ynylpropane-2-sulfonamide (CID 156771288) is 1,3-difluoro-2-(fluoromethyl)-N-prop-2-ynylpropane-2-sulfonamide.
What is the SMILES notation for 1,3-difluoro-2-(fluoromethyl)-N-prop-2-ynylpropane-2-sulfonamide?
The canonical SMILES for 1,3-difluoro-2-(fluoromethyl)-N-prop-2-ynylpropane-2-sulfonamide is C#CCNS(=O)(=O)C(CF)(CF)CF.
What is the InChIKey of 1,3-difluoro-2-(fluoromethyl)-N-prop-2-ynylpropane-2-sulfonamide?
The InChIKey is LYOIXEFXNWIFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2S/c1-2-3-11-14(12,13)7(4-8,5-9)6-10/h1,11H,3-6H2.
What are the key properties of 1,3-difluoro-2-(fluoromethyl)-N-prop-2-ynylpropane-2-sulfonamide?
1,3-difluoro-2-(fluoromethyl)-N-prop-2-ynylpropane-2-sulfonamide has a molecular weight of 229.22 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-(fluoromethyl)-N-prop-2-ynylpropane-2-sulfonamide is sourced from PubChem (CID 156771288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).