2-fluoro-N-methylhex-2-en-1-imine

C7H12FN — CID 123238451

IUPAC2-fluoro-N-methylhex-2-en-1-imine
SMILESCCCC=C(F)/C=N/C
InChIInChI=1S/C7H12FN/c1-3-4-5-7(8)6-9-2/h5-6H,3-4H2,1-2H3/b7-5?,9-6+
InChIKeyONGWSDSGCYXJSK-MHNMJEMNSA-N
MW129.18 g/mol
LogP2.34
Rot. Bonds3

About 2-fluoro-N-methylhex-2-en-1-imine

2-fluoro-N-methylhex-2-en-1-imine (PubChem CID 123238451) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 2-fluoro-N-methylhex-2-en-1-imine.

Molecular Properties

Compound Name2-fluoro-N-methylhex-2-en-1-imine
PubChem CID123238451
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name2-fluoro-N-methylhex-2-en-1-imine
SMILESCCCC=C(F)/C=N/C
InChIInChI=1S/C7H12FN/c1-3-4-5-7(8)6-9-2/h5-6H,3-4H2,1-2H3/b7-5?,9-6+
InChIKeyONGWSDSGCYXJSK-MHNMJEMNSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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-methyl-2,3-dihydropyridine
CID 67991616
(2S)-3-fluoro-2-methyl-2,3-dihydropyridine
CID 67991667
3-Fluoro-5-methyl-2,3-dihydropyridine
CID 68083425
5-Fluoro-2-methyl-2,3-dihydropyridine
CID 77393448
2-Ethyl-5-fluoro-2,3-dihydropyridine
CID 89742590
5-Fluoro-2,3-dihydropyridine
CID 90926903
(E)-2-fluoro-N-methylbut-2-en-1-imine
CID 91188405
(E)-2-fluoropent-2-en-1-imine
CID 91273048
(E)-2-fluoro-N-propylbut-2-en-1-imine
CID 123142232
2-fluoro-N-methylbut-2-en-1-imine
CID 123705296
(2E)-3-ethenyl-2-ethylidene-3-fluoro-N-methylpent-4-en-1-imine
CID 129196407
(E)-N-ethyl-2-fluorobut-2-en-1-imine
CID 141831603

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methylhex-2-en-1-imine?
The IUPAC name of 2-fluoro-N-methylhex-2-en-1-imine (CID 123238451) is 2-fluoro-N-methylhex-2-en-1-imine.
What is the SMILES notation for 2-fluoro-N-methylhex-2-en-1-imine?
The canonical SMILES for 2-fluoro-N-methylhex-2-en-1-imine is CCCC=C(F)/C=N/C.
What is the InChIKey of 2-fluoro-N-methylhex-2-en-1-imine?
The InChIKey is ONGWSDSGCYXJSK-MHNMJEMNSA-N. The full InChI is InChI=1S/C7H12FN/c1-3-4-5-7(8)6-9-2/h5-6H,3-4H2,1-2H3/b7-5?,9-6+.
What are the key properties of 2-fluoro-N-methylhex-2-en-1-imine?
2-fluoro-N-methylhex-2-en-1-imine has a molecular weight of 129.18 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methylhex-2-en-1-imine is sourced from PubChem (CID 123238451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).