2-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-ylidene]propane-2-sulfinamide

C14H16F3NOS — CID 102030522

IUPAC2-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-ylidene]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C(/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H16F3NOS/c1-13(2,3)20(19)18-12(14(15,16)17)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+,18-12?
InChIKeyIJFHRJMRMJCOSS-JORGZZLKSA-N
MW303.35 g/mol
LogP4.17
Rot. Bonds3

About 2-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-ylidene]propane-2-sulfinamide

2-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-ylidene]propane-2-sulfinamide (PubChem CID 102030522) has the molecular formula C14H16F3NOS and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-ylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-ylidene]propane-2-sulfinamide
PubChem CID102030522
Molecular FormulaC14H16F3NOS
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC Name2-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-ylidene]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C(/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H16F3NOS/c1-13(2,3)20(19)18-12(14(15,16)17)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+,18-12?
InChIKeyIJFHRJMRMJCOSS-JORGZZLKSA-N
XLogP4.17
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-ylidene]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-ylidene]propane-2-sulfinamide (CID 102030522) is 2-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-ylidene]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-ylidene]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-ylidene]propane-2-sulfinamide is CC(C)(C)S(=O)N=C(/C=C/c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-ylidene]propane-2-sulfinamide?
The InChIKey is IJFHRJMRMJCOSS-JORGZZLKSA-N. The full InChI is InChI=1S/C14H16F3NOS/c1-13(2,3)20(19)18-12(14(15,16)17)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+,18-12?.
What are the key properties of 2-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-ylidene]propane-2-sulfinamide?
2-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-ylidene]propane-2-sulfinamide has a molecular weight of 303.35 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-ylidene]propane-2-sulfinamide is sourced from PubChem (CID 102030522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).