(E)-3-fluoro-N-methyl-2-prop-1-en-2-ylbut-2-en-1-imine

C8H12FN — CID 144910992

IUPAC(E)-3-fluoro-N-methyl-2-prop-1-en-2-ylbut-2-en-1-imine
SMILESC=C(C)C(/C=N/C)=C(/C)F
InChIInChI=1S/C8H12FN/c1-6(2)8(5-10-4)7(3)9/h5H,1H2,2-4H3/b8-7-,10-5+
InChIKeyFUYNWQASMBXCTB-GBLFQTLVSA-N
MW141.19 g/mol
LogP2.51
Rot. Bonds2

About (E)-3-fluoro-N-methyl-2-prop-1-en-2-ylbut-2-en-1-imine

(E)-3-fluoro-N-methyl-2-prop-1-en-2-ylbut-2-en-1-imine (PubChem CID 144910992) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (E)-3-fluoro-N-methyl-2-prop-1-en-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-fluoro-N-methyl-2-prop-1-en-2-ylbut-2-en-1-imine
PubChem CID144910992
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(E)-3-fluoro-N-methyl-2-prop-1-en-2-ylbut-2-en-1-imine
SMILESC=C(C)C(/C=N/C)=C(/C)F
InChIInChI=1S/C8H12FN/c1-6(2)8(5-10-4)7(3)9/h5H,1H2,2-4H3/b8-7-,10-5+
InChIKeyFUYNWQASMBXCTB-GBLFQTLVSA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.51
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

3-Fluoro-5-methyl-2,3-dihydropyridine
CID 68083425
7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine
CID 90705914
5-(Fluoromethyl)-2,3-dihydropyridine
CID 91586343
(2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine
CID 118569105
N-butan-2-yl-2-ethylidene-4-methyl-3-(trifluoromethyl)hex-3-en-1-imine
CID 123348293
N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
CID 123408100
(3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine
CID 123726188
(2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine
CID 129196363
(2E)-3-ethenyl-2-ethylidene-3-fluoro-N-methylpent-4-en-1-imine
CID 129196407
(Z)-N,2-diethyl-3-fluorobut-2-en-1-imine
CID 134189409
(E)-N-[(2E)-2-chloropenta-2,4-dienyl]-3-fluoro-2-methylidenepent-3-en-1-imine
CID 134343094
(E)-N-ethyl-4,4,4-trifluoro-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine
CID 134466405

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-N-methyl-2-prop-1-en-2-ylbut-2-en-1-imine?
The IUPAC name of (E)-3-fluoro-N-methyl-2-prop-1-en-2-ylbut-2-en-1-imine (CID 144910992) is (E)-3-fluoro-N-methyl-2-prop-1-en-2-ylbut-2-en-1-imine.
What is the SMILES notation for (E)-3-fluoro-N-methyl-2-prop-1-en-2-ylbut-2-en-1-imine?
The canonical SMILES for (E)-3-fluoro-N-methyl-2-prop-1-en-2-ylbut-2-en-1-imine is C=C(C)C(/C=N/C)=C(/C)F.
What is the InChIKey of (E)-3-fluoro-N-methyl-2-prop-1-en-2-ylbut-2-en-1-imine?
The InChIKey is FUYNWQASMBXCTB-GBLFQTLVSA-N. The full InChI is InChI=1S/C8H12FN/c1-6(2)8(5-10-4)7(3)9/h5H,1H2,2-4H3/b8-7-,10-5+.
What are the key properties of (E)-3-fluoro-N-methyl-2-prop-1-en-2-ylbut-2-en-1-imine?
(E)-3-fluoro-N-methyl-2-prop-1-en-2-ylbut-2-en-1-imine has a molecular weight of 141.19 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-N-methyl-2-prop-1-en-2-ylbut-2-en-1-imine is sourced from PubChem (CID 144910992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).