1-thiophen-2-yl-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine

C14H10F3NS — CID 164672991

IUPAC1-thiophen-2-yl-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine
SMILESC=C(c1ccccc1/N=C/c1cccs1)C(F)(F)F
InChIInChI=1S/C14H10F3NS/c1-10(14(15,16)17)12-6-2-3-7-13(12)18-9-11-5-4-8-19-11/h2-9H,1H2/b18-9+
InChIKeyDXEXMFURUXDDOE-GIJQJNRQSA-N
MW281.30 g/mol
LogP5.07
Rot. Bonds3

About 1-thiophen-2-yl-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine

1-thiophen-2-yl-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine (PubChem CID 164672991) has the molecular formula C14H10F3NS and a molecular weight of 281.30 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine
PubChem CID164672991
Molecular FormulaC14H10F3NS
Molecular Weight281.30 g/mol
Exact Mass281.05
IUPAC Name1-thiophen-2-yl-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine
SMILESC=C(c1ccccc1/N=C/c1cccs1)C(F)(F)F
InChIInChI=1S/C14H10F3NS/c1-10(14(15,16)17)12-6-2-3-7-13(12)18-9-11-5-4-8-19-11/h2-9H,1H2/b18-9+
InChIKeyDXEXMFURUXDDOE-GIJQJNRQSA-N
XLogP5.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.30
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-thiophen-2-yl-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine?
The IUPAC name of 1-thiophen-2-yl-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine (CID 164672991) is 1-thiophen-2-yl-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine.
What is the SMILES notation for 1-thiophen-2-yl-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine?
The canonical SMILES for 1-thiophen-2-yl-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine is C=C(c1ccccc1/N=C/c1cccs1)C(F)(F)F.
What is the InChIKey of 1-thiophen-2-yl-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine?
The InChIKey is DXEXMFURUXDDOE-GIJQJNRQSA-N. The full InChI is InChI=1S/C14H10F3NS/c1-10(14(15,16)17)12-6-2-3-7-13(12)18-9-11-5-4-8-19-11/h2-9H,1H2/b18-9+.
What are the key properties of 1-thiophen-2-yl-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine?
1-thiophen-2-yl-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine has a molecular weight of 281.30 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine is sourced from PubChem (CID 164672991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).