N-[(Z)-4,4,4-trifluorobut-1-enyl]ethanimine

C6H8F3N — CID 118668915

IUPACN-[(Z)-4,4,4-trifluorobut-1-enyl]ethanimine
SMILESC/C=N/C=C\CC(F)(F)F
InChIInChI=1S/C6H8F3N/c1-2-10-5-3-4-6(7,8)9/h2-3,5H,4H2,1H3/b5-3-,10-2+
InChIKeyBEDTUOWZPAHADS-PIZCBYHISA-N
MW151.13 g/mol
LogP2.54
Rot. Bonds2

About N-[(Z)-4,4,4-trifluorobut-1-enyl]ethanimine

N-[(Z)-4,4,4-trifluorobut-1-enyl]ethanimine (PubChem CID 118668915) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is N-[(Z)-4,4,4-trifluorobut-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-4,4,4-trifluorobut-1-enyl]ethanimine
PubChem CID118668915
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC NameN-[(Z)-4,4,4-trifluorobut-1-enyl]ethanimine
SMILESC/C=N/C=C\CC(F)(F)F
InChIInChI=1S/C6H8F3N/c1-2-10-5-3-4-6(7,8)9/h2-3,5H,4H2,1H3/b5-3-,10-2+
InChIKeyBEDTUOWZPAHADS-PIZCBYHISA-N
XLogP2.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-[(Z)-4,4,4-trifluorobut-1-enyl]ethanimine?
The IUPAC name of N-[(Z)-4,4,4-trifluorobut-1-enyl]ethanimine (CID 118668915) is N-[(Z)-4,4,4-trifluorobut-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-4,4,4-trifluorobut-1-enyl]ethanimine?
The canonical SMILES for N-[(Z)-4,4,4-trifluorobut-1-enyl]ethanimine is C/C=N/C=C\CC(F)(F)F.
What is the InChIKey of N-[(Z)-4,4,4-trifluorobut-1-enyl]ethanimine?
The InChIKey is BEDTUOWZPAHADS-PIZCBYHISA-N. The full InChI is InChI=1S/C6H8F3N/c1-2-10-5-3-4-6(7,8)9/h2-3,5H,4H2,1H3/b5-3-,10-2+.
What are the key properties of N-[(Z)-4,4,4-trifluorobut-1-enyl]ethanimine?
N-[(Z)-4,4,4-trifluorobut-1-enyl]ethanimine has a molecular weight of 151.13 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4,4,4-trifluorobut-1-enyl]ethanimine is sourced from PubChem (CID 118668915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).