(E)-3-fluoro-N-methylpent-2-en-1-imine

C6H10FN — CID 156807601

IUPAC(E)-3-fluoro-N-methylpent-2-en-1-imine
SMILESCC/C(=C\C=NC)/F
InChIInChI=1S/C6H10FN/c1-3-6(7)4-5-8-2/h4-5H,3H2,1-2H3/b6-4+,8-5?
InChIKeyDRZMIODQFHXSPU-IHXNKUKYSA-N
MW115.15 g/mol
LogP1.10
Rot. Bonds2

About (E)-3-fluoro-N-methylpent-2-en-1-imine

(E)-3-fluoro-N-methylpent-2-en-1-imine (PubChem CID 156807601) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is (E)-3-fluoro-N-methylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-fluoro-N-methylpent-2-en-1-imine
PubChem CID156807601
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name(E)-3-fluoro-N-methylpent-2-en-1-imine
SMILESCC/C(=C\C=NC)/F
InChIInChI=1S/C6H10FN/c1-3-6(7)4-5-8-2/h4-5H,3H2,1-2H3/b6-4+,8-5?
InChIKeyDRZMIODQFHXSPU-IHXNKUKYSA-N
XLogP1.10
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity105

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoro-2,3-dihydropyridine
CID 54085820
5-fluoro-3H-pyridin-1-ium
CID 57109378
4-fluoro-3H-pyridin-1-ium
CID 57288424
(2S)-5-fluoro-2-methyl-2,3-dihydropyridine
CID 67991616
(2S)-3-fluoro-2-methyl-2,3-dihydropyridine
CID 67991667
3-Fluoro-2,3-dihydropyridine
CID 68024004
3-Fluoro-5-methyl-2,3-dihydropyridine
CID 68083425
2-Fluoro-3-methyl-2,3-dihydropyridine
CID 68374972
5-Fluoro-2-methyl-2,3-dihydropyridine
CID 77393448
2-Fluoro-4-methyl-2,3-dihydropyridine
CID 90817887
5-Fluoro-2,3-dihydropyridine
CID 90926903
(E)-2-fluoro-N-methylbut-2-en-1-imine
CID 91188405

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-N-methylpent-2-en-1-imine?
The IUPAC name of (E)-3-fluoro-N-methylpent-2-en-1-imine (CID 156807601) is (E)-3-fluoro-N-methylpent-2-en-1-imine.
What is the SMILES notation for (E)-3-fluoro-N-methylpent-2-en-1-imine?
The canonical SMILES for (E)-3-fluoro-N-methylpent-2-en-1-imine is CC/C(=C\C=NC)/F.
What is the InChIKey of (E)-3-fluoro-N-methylpent-2-en-1-imine?
The InChIKey is DRZMIODQFHXSPU-IHXNKUKYSA-N. The full InChI is InChI=1S/C6H10FN/c1-3-6(7)4-5-8-2/h4-5H,3H2,1-2H3/b6-4+,8-5?.
What are the key properties of (E)-3-fluoro-N-methylpent-2-en-1-imine?
(E)-3-fluoro-N-methylpent-2-en-1-imine has a molecular weight of 115.15 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-N-methylpent-2-en-1-imine is sourced from PubChem (CID 156807601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).