3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine;hydrochloride

C9H11ClF3NO3S — CID 175741646

IUPAC3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine;hydrochloride
SMILESCc1occc1S(=O)(=O)C(F)(F)C(F)=CCN.Cl
InChIInChI=1S/C9H10F3NO3S.ClH/c1-6-7(3-5-16-6)17(14,15)9(11,12)8(10)2-4-13;/h2-3,5H,4,13H2,1H3;1H
InChIKeyAARCJMJDHUEXCE-UHFFFAOYSA-N
MW305.71 g/mol
LogP2.19
Rot. Bonds4

About 3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine;hydrochloride

3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine;hydrochloride (PubChem CID 175741646) has the molecular formula C9H11ClF3NO3S and a molecular weight of 305.71 g/mol. Its IUPAC name is 3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine;hydrochloride
PubChem CID175741646
Molecular FormulaC9H11ClF3NO3S
Molecular Weight305.71 g/mol
Exact Mass305.01
IUPAC Name3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine;hydrochloride
SMILESCc1occc1S(=O)(=O)C(F)(F)C(F)=CCN.Cl
InChIInChI=1S/C9H10F3NO3S.ClH/c1-6-7(3-5-16-6)17(14,15)9(11,12)8(10)2-4-13;/h2-3,5H,4,13H2,1H3;1H
InChIKeyAARCJMJDHUEXCE-UHFFFAOYSA-N
XLogP2.19
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.71
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine;hydrochloride?
The IUPAC name of 3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine;hydrochloride (CID 175741646) is 3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine;hydrochloride.
What is the SMILES notation for 3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine;hydrochloride?
The canonical SMILES for 3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine;hydrochloride is Cc1occc1S(=O)(=O)C(F)(F)C(F)=CCN.Cl.
What is the InChIKey of 3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine;hydrochloride?
The InChIKey is AARCJMJDHUEXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3S.ClH/c1-6-7(3-5-16-6)17(14,15)9(11,12)8(10)2-4-13;/h2-3,5H,4,13H2,1H3;1H.
What are the key properties of 3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine;hydrochloride?
3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine;hydrochloride has a molecular weight of 305.71 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine;hydrochloride is sourced from PubChem (CID 175741646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).