N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]ethanimine

C7H10F3N — CID 177000151

IUPACN-[(Z)-1,1,1-trifluoropent-2-en-2-yl]ethanimine
SMILESC/C=N/C(=C\CC)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-3-5-6(11-4-2)7(8,9)10/h4-5H,3H2,1-2H3/b6-5-,11-4+
InChIKeyPPTKTFDJYHRCMP-VWXLBWAMSA-N
MW165.16 g/mol
LogP2.93
Rot. Bonds2

About N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]ethanimine

N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]ethanimine (PubChem CID 177000151) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-1,1,1-trifluoropent-2-en-2-yl]ethanimine
PubChem CID177000151
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC NameN-[(Z)-1,1,1-trifluoropent-2-en-2-yl]ethanimine
SMILESC/C=N/C(=C\CC)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-3-5-6(11-4-2)7(8,9)10/h4-5H,3H2,1-2H3/b6-5-,11-4+
InChIKeyPPTKTFDJYHRCMP-VWXLBWAMSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-6-methyl-3,4-dihydropyridine
CID 89071510
3-Methyl-6-(trifluoromethyl)-3,4-dihydropyridine
CID 89136331
N-(1,1,1-trifluoropent-2-en-2-yl)methanimine
CID 91449965
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]ethanimine
CID 117817156
N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine
CID 123935366
4-Methyl-6-(trifluoromethyl)-3,4-dihydropyridine
CID 135161345
N-[(2E)-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimine
CID 139320155
3,3-Difluoro-5-methylpyrrole
CID 141489180
N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]methanimine
CID 143342932
6-Ethyl-4-fluoro-3,4-dihydropyridine
CID 143491679
N-ethenylethanimine;(Z)-5,5,5-trifluoropent-2-ene
CID 143532055
N-[(Z)-1,1,1-trifluoro-4-methylpent-2-en-2-yl]methanimine
CID 154964914

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]ethanimine?
The IUPAC name of N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]ethanimine (CID 177000151) is N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]ethanimine.
What is the SMILES notation for N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]ethanimine?
The canonical SMILES for N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]ethanimine is C/C=N/C(=C\CC)C(F)(F)F.
What is the InChIKey of N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]ethanimine?
The InChIKey is PPTKTFDJYHRCMP-VWXLBWAMSA-N. The full InChI is InChI=1S/C7H10F3N/c1-3-5-6(11-4-2)7(8,9)10/h4-5H,3H2,1-2H3/b6-5-,11-4+.
What are the key properties of N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]ethanimine?
N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]ethanimine has a molecular weight of 165.16 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]ethanimine is sourced from PubChem (CID 177000151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).