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

C7H8F3NS — CID 158862848

IUPAC2,2,2-trifluoro-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine
SMILES[H]/N=C(/C1SC=CC1C)C(F)(F)F
InChIInChI=1S/C7H8F3NS/c1-4-2-3-12-5(4)6(11)7(8,9)10/h2-5,11H,1H3/b11-6-
InChIKeyJAVZVADSIRLBCS-WDZFZDKYSA-N
MW195.21 g/mol
LogP2.83
Rot. Bonds1

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

2,2,2-trifluoro-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine (PubChem CID 158862848) has the molecular formula C7H8F3NS and a molecular weight of 195.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine
PubChem CID158862848
Molecular FormulaC7H8F3NS
Molecular Weight195.21 g/mol
Exact Mass195.03
IUPAC Name2,2,2-trifluoro-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine
SMILES[H]/N=C(/C1SC=CC1C)C(F)(F)F
InChIInChI=1S/C7H8F3NS/c1-4-2-3-12-5(4)6(11)7(8,9)10/h2-5,11H,1H3/b11-6-
InChIKeyJAVZVADSIRLBCS-WDZFZDKYSA-N
XLogP2.83
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-Dihydrothiophen-2-yl)-2,2,2-trifluoroethanimine
CID 89098959
2,2,2-trifluoro-N-methyl-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine
CID 163965313
N-[2,2,2-trifluoro-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethylidene]hydroxylamine
CID 162550244
2,2,2-trifluoro-N-iodo-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine
CID 162578591
(NE)-N-[2,2,2-trifluoro-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethylidene]hydroxylamine
CID 172943162

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine?
The IUPAC name of 2,2,2-trifluoro-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine (CID 158862848) is 2,2,2-trifluoro-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine?
The canonical SMILES for 2,2,2-trifluoro-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine is [H]/N=C(/C1SC=CC1C)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine?
The InChIKey is JAVZVADSIRLBCS-WDZFZDKYSA-N. The full InChI is InChI=1S/C7H8F3NS/c1-4-2-3-12-5(4)6(11)7(8,9)10/h2-5,11H,1H3/b11-6-.
What are the key properties of 2,2,2-trifluoro-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine?
2,2,2-trifluoro-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine has a molecular weight of 195.21 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine is sourced from PubChem (CID 158862848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).