N-[(E)-4-fluoro-2-[(Z)-prop-1-enyl]hex-2-en-5-ynyl]methanimine

C10H12FN — CID 142913484

IUPACN-[(E)-4-fluoro-2-[(Z)-prop-1-enyl]hex-2-en-5-ynyl]methanimine
SMILESC#CC(F)/C=C(\C=C/C)CN=C
InChIInChI=1S/C10H12FN/c1-4-6-9(8-12-3)7-10(11)5-2/h2,4,6-7,10H,3,8H2,1H3/b6-4-,9-7+
InChIKeyTZFCCQROPBQXEQ-UNQQQNFISA-N
MW165.21 g/mol
LogP2.16
Rot. Bonds4

About N-[(E)-4-fluoro-2-[(Z)-prop-1-enyl]hex-2-en-5-ynyl]methanimine

N-[(E)-4-fluoro-2-[(Z)-prop-1-enyl]hex-2-en-5-ynyl]methanimine (PubChem CID 142913484) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is N-[(E)-4-fluoro-2-[(Z)-prop-1-enyl]hex-2-en-5-ynyl]methanimine.

Molecular Properties

Compound NameN-[(E)-4-fluoro-2-[(Z)-prop-1-enyl]hex-2-en-5-ynyl]methanimine
PubChem CID142913484
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC NameN-[(E)-4-fluoro-2-[(Z)-prop-1-enyl]hex-2-en-5-ynyl]methanimine
SMILESC#CC(F)/C=C(\C=C/C)CN=C
InChIInChI=1S/C10H12FN/c1-4-6-9(8-12-3)7-10(11)5-2/h2,4,6-7,10H,3,8H2,1H3/b6-4-,9-7+
InChIKeyTZFCCQROPBQXEQ-UNQQQNFISA-N
XLogP2.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.16
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 166868320
N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 142294235
2,2,2-trifluoroethyl N'-[N-[(E)-4-chloro-5-oxo-2-prop-1-enylhex-2-enyl]-C-ethenylcarbonimidoyl]-N-methylidenecarbamimidate
CID 123514144
(Z)-1,1-difluoro-N-methylpent-3-en-2-imine
CID 138552264
N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine
CID 142024133
(Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol
CID 129172048
(2E,4Z,6R)-6-methyl-4-(2,2,2-trifluoroethyl)octa-2,4-diene
CID 143337028
(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 142933164
(Z)-2-methyl-6-[(Z)-prop-1-enyl]non-6-en-8-yn-4-ol
CID 130380658
N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine
CID 139436221
ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene
CID 144709527
(1E,3Z,4Z)-3-ethylidene-2-(methylideneamino)hexa-1,4-dien-1-amine
CID 166695623

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-fluoro-2-[(Z)-prop-1-enyl]hex-2-en-5-ynyl]methanimine?
The IUPAC name of N-[(E)-4-fluoro-2-[(Z)-prop-1-enyl]hex-2-en-5-ynyl]methanimine (CID 142913484) is N-[(E)-4-fluoro-2-[(Z)-prop-1-enyl]hex-2-en-5-ynyl]methanimine.
What is the SMILES notation for N-[(E)-4-fluoro-2-[(Z)-prop-1-enyl]hex-2-en-5-ynyl]methanimine?
The canonical SMILES for N-[(E)-4-fluoro-2-[(Z)-prop-1-enyl]hex-2-en-5-ynyl]methanimine is C#CC(F)/C=C(\C=C/C)CN=C.
What is the InChIKey of N-[(E)-4-fluoro-2-[(Z)-prop-1-enyl]hex-2-en-5-ynyl]methanimine?
The InChIKey is TZFCCQROPBQXEQ-UNQQQNFISA-N. The full InChI is InChI=1S/C10H12FN/c1-4-6-9(8-12-3)7-10(11)5-2/h2,4,6-7,10H,3,8H2,1H3/b6-4-,9-7+.
What are the key properties of N-[(E)-4-fluoro-2-[(Z)-prop-1-enyl]hex-2-en-5-ynyl]methanimine?
N-[(E)-4-fluoro-2-[(Z)-prop-1-enyl]hex-2-en-5-ynyl]methanimine has a molecular weight of 165.21 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-fluoro-2-[(Z)-prop-1-enyl]hex-2-en-5-ynyl]methanimine is sourced from PubChem (CID 142913484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).