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

C9H10F3NO3S — CID 155585045

IUPAC(Z)-3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine
SMILESCc1occc1S(=O)(=O)C(F)(F)/C(F)=C/CN
InChIInChI=1S/C9H10F3NO3S/c1-6-7(3-5-16-6)17(14,15)9(11,12)8(10)2-4-13/h2-3,5H,4,13H2,1H3/b8-2-
InChIKeySMKCXMYLZLBFND-WAPJZHGLSA-N
MW269.24 g/mol
LogP1.77
Rot. Bonds4

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

(Z)-3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine (PubChem CID 155585045) has the molecular formula C9H10F3NO3S and a molecular weight of 269.24 g/mol. Its IUPAC name is (Z)-3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine
PubChem CID155585045
Molecular FormulaC9H10F3NO3S
Molecular Weight269.24 g/mol
Exact Mass269.03
IUPAC Name(Z)-3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine
SMILESCc1occc1S(=O)(=O)C(F)(F)/C(F)=C/CN
InChIInChI=1S/C9H10F3NO3S/c1-6-7(3-5-16-6)17(14,15)9(11,12)8(10)2-4-13/h2-3,5H,4,13H2,1H3/b8-2-
InChIKeySMKCXMYLZLBFND-WAPJZHGLSA-N
XLogP1.77
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (Z)-3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine?
The IUPAC name of (Z)-3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine (CID 155585045) is (Z)-3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine.
What is the SMILES notation for (Z)-3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine?
The canonical SMILES for (Z)-3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine is Cc1occc1S(=O)(=O)C(F)(F)/C(F)=C/CN.
What is the InChIKey of (Z)-3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine?
The InChIKey is SMKCXMYLZLBFND-WAPJZHGLSA-N. The full InChI is InChI=1S/C9H10F3NO3S/c1-6-7(3-5-16-6)17(14,15)9(11,12)8(10)2-4-13/h2-3,5H,4,13H2,1H3/b8-2-.
What are the key properties of (Z)-3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine?
(Z)-3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine has a molecular weight of 269.24 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine is sourced from PubChem (CID 155585045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).