N-[(E)-5,5,5-trifluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]methanimine

C9H12F3N — CID 142913277

IUPACN-[(E)-5,5,5-trifluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]methanimine
SMILESC=NCC(/C=C\C)=C/CC(F)(F)F
InChIInChI=1S/C9H12F3N/c1-3-4-8(7-13-2)5-6-9(10,11)12/h3-5H,2,6-7H2,1H3/b4-3-,8-5+
InChIKeyHPWNDYRLMVOFDP-HMRFFJRGSA-N
MW191.20 g/mol
LogP3.14
Rot. Bonds4

About N-[(E)-5,5,5-trifluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]methanimine

N-[(E)-5,5,5-trifluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]methanimine (PubChem CID 142913277) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is N-[(E)-5,5,5-trifluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-5,5,5-trifluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]methanimine
PubChem CID142913277
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC NameN-[(E)-5,5,5-trifluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]methanimine
SMILESC=NCC(/C=C\C)=C/CC(F)(F)F
InChIInChI=1S/C9H12F3N/c1-3-4-8(7-13-2)5-6-9(10,11)12/h3-5H,2,6-7H2,1H3/b4-3-,8-5+
InChIKeyHPWNDYRLMVOFDP-HMRFFJRGSA-N
XLogP3.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-5,5,5-trifluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]methanimine?
The IUPAC name of N-[(E)-5,5,5-trifluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]methanimine (CID 142913277) is N-[(E)-5,5,5-trifluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]methanimine.
What is the SMILES notation for N-[(E)-5,5,5-trifluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]methanimine?
The canonical SMILES for N-[(E)-5,5,5-trifluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]methanimine is C=NCC(/C=C\C)=C/CC(F)(F)F.
What is the InChIKey of N-[(E)-5,5,5-trifluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]methanimine?
The InChIKey is HPWNDYRLMVOFDP-HMRFFJRGSA-N. The full InChI is InChI=1S/C9H12F3N/c1-3-4-8(7-13-2)5-6-9(10,11)12/h3-5H,2,6-7H2,1H3/b4-3-,8-5+.
What are the key properties of N-[(E)-5,5,5-trifluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]methanimine?
N-[(E)-5,5,5-trifluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]methanimine has a molecular weight of 191.20 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5,5,5-trifluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]methanimine is sourced from PubChem (CID 142913277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).