(E)-3-fluoro-N-methylhex-3-en-2-imine

C7H12FN — CID 169235858

IUPAC(E)-3-fluoro-N-methylhex-3-en-2-imine
SMILESCC/C=C(F)\C(C)=N\C
InChIInChI=1S/C7H12FN/c1-4-5-7(8)6(2)9-3/h5H,4H2,1-3H3/b7-5+,9-6+
InChIKeyBAPMRCQZVPHZBI-PDTNFJSOSA-N
MW129.18 g/mol
LogP2.34
Rot. Bonds2

About (E)-3-fluoro-N-methylhex-3-en-2-imine

(E)-3-fluoro-N-methylhex-3-en-2-imine (PubChem CID 169235858) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (E)-3-fluoro-N-methylhex-3-en-2-imine.

Molecular Properties

Compound Name(E)-3-fluoro-N-methylhex-3-en-2-imine
PubChem CID169235858
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(E)-3-fluoro-N-methylhex-3-en-2-imine
SMILESCC/C=C(F)\C(C)=N\C
InChIInChI=1S/C7H12FN/c1-4-5-7(8)6(2)9-3/h5H,4H2,1-3H3/b7-5+,9-6+
InChIKeyBAPMRCQZVPHZBI-PDTNFJSOSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-fluoro-2,6-dimethyl-2,3-dihydropyridine
CID 67991606
3-Fluoro-6-methyl-2,3-dihydropyridine
CID 89932263
4-fluoro-N-methylcyclohepta-2,6-dien-1-imine
CID 91613012
1,1,1-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 118281586
(E)-3-fluorohex-3-en-2-imine
CID 123164683
1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 123164940
3-fluoro-N-methylbut-3-en-2-imine
CID 123187857
3,4-difluoro-N-methylhex-3-en-2-imine
CID 123282924
(E)-3-fluoropent-3-en-2-imine
CID 123367626
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 123560506
(E)-5,5,5-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 123696234

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-N-methylhex-3-en-2-imine?
The IUPAC name of (E)-3-fluoro-N-methylhex-3-en-2-imine (CID 169235858) is (E)-3-fluoro-N-methylhex-3-en-2-imine.
What is the SMILES notation for (E)-3-fluoro-N-methylhex-3-en-2-imine?
The canonical SMILES for (E)-3-fluoro-N-methylhex-3-en-2-imine is CC/C=C(F)\C(C)=N\C.
What is the InChIKey of (E)-3-fluoro-N-methylhex-3-en-2-imine?
The InChIKey is BAPMRCQZVPHZBI-PDTNFJSOSA-N. The full InChI is InChI=1S/C7H12FN/c1-4-5-7(8)6(2)9-3/h5H,4H2,1-3H3/b7-5+,9-6+.
What are the key properties of (E)-3-fluoro-N-methylhex-3-en-2-imine?
(E)-3-fluoro-N-methylhex-3-en-2-imine has a molecular weight of 129.18 g/mol, XLogP of 2.34, 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-methylhex-3-en-2-imine is sourced from PubChem (CID 169235858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).