(Z,E)-N-[(E)-1-fluoroprop-1-enyl]pent-2-en-1-imine

C8H12FN — CID 171558229

IUPAC(Z,E)-N-[(E)-1-fluoroprop-1-enyl]pent-2-en-1-imine
SMILESC/C=C(F)\N=C/C=C/CC
InChIInChI=1S/C8H12FN/c1-3-5-6-7-10-8(9)4-2/h4-7H,3H2,1-2H3/b6-5+,8-4-,10-7-
InChIKeyWVXNLZTXJODOST-MVIGZDABSA-N
MW141.19 g/mol
LogP2.85
Rot. Bonds3

About (Z,E)-N-[(E)-1-fluoroprop-1-enyl]pent-2-en-1-imine

(Z,E)-N-[(E)-1-fluoroprop-1-enyl]pent-2-en-1-imine (PubChem CID 171558229) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (Z,E)-N-[(E)-1-fluoroprop-1-enyl]pent-2-en-1-imine.

Molecular Properties

Compound Name(Z,E)-N-[(E)-1-fluoroprop-1-enyl]pent-2-en-1-imine
PubChem CID171558229
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(Z,E)-N-[(E)-1-fluoroprop-1-enyl]pent-2-en-1-imine
SMILESC/C=C(F)\N=C/C=C/CC
InChIInChI=1S/C8H12FN/c1-3-5-6-7-10-8(9)4-2/h4-7H,3H2,1-2H3/b6-5+,8-4-,10-7-
InChIKeyWVXNLZTXJODOST-MVIGZDABSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoro-3-methyl-2,3-dihydropyridine
CID 68374972
N-(2-fluoro-4-methylpent-2-en-3-yl)prop-2-en-1-imine
CID 91152307
5-fluoro-3-methyl-3-prop-1-enyl-2H-pyridine
CID 123399564
(2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine
CID 129196363
4-fluoro-N-[(Z)-prop-1-enyl]pent-2-enimidoyl fluoride
CID 134172148
N-[(1E,4Z)-6-fluorohexa-1,4-dienyl]pentan-1-imine
CID 143003949
(E)-N-ethenyl-3-fluorohex-3-en-1-imine
CID 143495541
N-ethenylethanimine;(Z)-5,5,5-trifluoropent-2-ene
CID 143532055
(E)-2-fluoro-N-methylpent-2-en-1-imine
CID 147702126
2-fluoro-N-[(Z)-4-methylpent-2-en-3-yl]prop-2-en-1-imine
CID 148963729
3-fluoro-3-methyl-2H-pyridine
CID 153958627
(E)-3-fluoro-N-methylpent-2-en-1-imine
CID 156807601

Frequently Asked Questions

What is the IUPAC name of (Z,E)-N-[(E)-1-fluoroprop-1-enyl]pent-2-en-1-imine?
The IUPAC name of (Z,E)-N-[(E)-1-fluoroprop-1-enyl]pent-2-en-1-imine (CID 171558229) is (Z,E)-N-[(E)-1-fluoroprop-1-enyl]pent-2-en-1-imine.
What is the SMILES notation for (Z,E)-N-[(E)-1-fluoroprop-1-enyl]pent-2-en-1-imine?
The canonical SMILES for (Z,E)-N-[(E)-1-fluoroprop-1-enyl]pent-2-en-1-imine is C/C=C(F)\N=C/C=C/CC.
What is the InChIKey of (Z,E)-N-[(E)-1-fluoroprop-1-enyl]pent-2-en-1-imine?
The InChIKey is WVXNLZTXJODOST-MVIGZDABSA-N. The full InChI is InChI=1S/C8H12FN/c1-3-5-6-7-10-8(9)4-2/h4-7H,3H2,1-2H3/b6-5+,8-4-,10-7-.
What are the key properties of (Z,E)-N-[(E)-1-fluoroprop-1-enyl]pent-2-en-1-imine?
(Z,E)-N-[(E)-1-fluoroprop-1-enyl]pent-2-en-1-imine has a molecular weight of 141.19 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,E)-N-[(E)-1-fluoroprop-1-enyl]pent-2-en-1-imine is sourced from PubChem (CID 171558229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).