2,2,2-trifluoro-N-methyl-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine

C8H10F3NS — CID 163965313

IUPAC2,2,2-trifluoro-N-methyl-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine
SMILESC/N=C(/C1SC=CC1C)C(F)(F)F
InChIInChI=1S/C8H10F3NS/c1-5-3-4-13-6(5)7(12-2)8(9,10)11/h3-6H,1-2H3/b12-7-
InChIKeySLEKUNXDZSNPRO-GHXNOFRVSA-N
MW209.24 g/mol
LogP2.88
Rot. Bonds1

About 2,2,2-trifluoro-N-methyl-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine

2,2,2-trifluoro-N-methyl-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine (PubChem CID 163965313) has the molecular formula C8H10F3NS and a molecular weight of 209.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine
PubChem CID163965313
Molecular FormulaC8H10F3NS
Molecular Weight209.24 g/mol
Exact Mass209.05
IUPAC Name2,2,2-trifluoro-N-methyl-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine
SMILESC/N=C(/C1SC=CC1C)C(F)(F)F
InChIInChI=1S/C8H10F3NS/c1-5-3-4-13-6(5)7(12-2)8(9,10)11/h3-6H,1-2H3/b12-7-
InChIKeySLEKUNXDZSNPRO-GHXNOFRVSA-N
XLogP2.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-Trifluoro-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine
CID 158862848
2,2,2-trifluoro-N-iodo-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine
CID 162578591
N-methyl-1-(2-methyl-2,3-dihydrothiophen-3-yl)propan-1-imine
CID 163695829

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine (CID 163965313) is 2,2,2-trifluoro-N-methyl-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine is C/N=C(/C1SC=CC1C)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine?
The InChIKey is SLEKUNXDZSNPRO-GHXNOFRVSA-N. The full InChI is InChI=1S/C8H10F3NS/c1-5-3-4-13-6(5)7(12-2)8(9,10)11/h3-6H,1-2H3/b12-7-.
What are the key properties of 2,2,2-trifluoro-N-methyl-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine?
2,2,2-trifluoro-N-methyl-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine has a molecular weight of 209.24 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine is sourced from PubChem (CID 163965313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).