N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]ethanimine

C7H8F3N — CID 143539575

IUPACN-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]ethanimine
SMILESC=C/C=C(\N=C\C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-3-5-6(11-4-2)7(8,9)10/h3-5H,1H2,2H3/b6-5-,11-4+
InChIKeyJTHAXJIDBCJRLA-VWXLBWAMSA-N
MW163.14 g/mol
LogP2.71
Rot. Bonds2

About N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]ethanimine

N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]ethanimine (PubChem CID 143539575) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]ethanimine
PubChem CID143539575
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC NameN-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]ethanimine
SMILESC=C/C=C(\N=C\C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-3-5-6(11-4-2)7(8,9)10/h3-5H,1H2,2H3/b6-5-,11-4+
InChIKeyJTHAXJIDBCJRLA-VWXLBWAMSA-N
XLogP2.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-4-(2,2-difluoroethylideneamino)hepta-2,4,6-trien-3-amine
CID 88578837
N-[(2Z,4Z)-1,1,1-trifluorohexa-2,4-dien-2-yl]ethanimine
CID 89073543
(E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine
CID 89214268
N-(1,1,1-trifluoropenta-2,4-dien-2-yl)ethanimine
CID 90941994
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]ethanimine
CID 117817156
N-(6,6,6-trifluoro-5-methylhexa-2,4-dien-2-yl)butan-1-imine
CID 123900546
N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine
CID 123935366
(Z)-N-[(E)-1-fluoroprop-1-en-2-yl]but-2-en-1-imine
CID 142010108
N-[(2Z,4Z)-1,1,1-trifluorohexa-2,4-dien-2-yl]methanimine
CID 143435074
N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]methanimine
CID 144022164
ethane;(Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine
CID 168934137
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine
CID 169976993

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]ethanimine?
The IUPAC name of N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]ethanimine (CID 143539575) is N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]ethanimine.
What is the SMILES notation for N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]ethanimine?
The canonical SMILES for N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]ethanimine is C=C/C=C(\N=C\C)C(F)(F)F.
What is the InChIKey of N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]ethanimine?
The InChIKey is JTHAXJIDBCJRLA-VWXLBWAMSA-N. The full InChI is InChI=1S/C7H8F3N/c1-3-5-6(11-4-2)7(8,9)10/h3-5H,1H2,2H3/b6-5-,11-4+.
What are the key properties of N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]ethanimine?
N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]ethanimine has a molecular weight of 163.14 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]ethanimine is sourced from PubChem (CID 143539575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).