N-[(E)-2-fluorobut-1-enyl]methanimine

C5H8FN — CID 134191875

IUPACN-[(E)-2-fluorobut-1-enyl]methanimine
SMILESC=N/C=C(/F)CC
InChIInChI=1S/C5H8FN/c1-3-5(6)4-7-2/h4H,2-3H2,1H3/b5-4+
InChIKeyBSJNMAXBAUXUPV-SNAWJCMRSA-N
MW101.12 g/mol
LogP1.91
Rot. Bonds2

About N-[(E)-2-fluorobut-1-enyl]methanimine

N-[(E)-2-fluorobut-1-enyl]methanimine (PubChem CID 134191875) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is N-[(E)-2-fluorobut-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-2-fluorobut-1-enyl]methanimine
PubChem CID134191875
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC NameN-[(E)-2-fluorobut-1-enyl]methanimine
SMILESC=N/C=C(/F)CC
InChIInChI=1S/C5H8FN/c1-3-5(6)4-7-2/h4H,2-3H2,1H3/b5-4+
InChIKeyBSJNMAXBAUXUPV-SNAWJCMRSA-N
XLogP1.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 51.91
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

N-[(1E,3E)-2-fluorohexa-1,3-dienyl]methanimine
CID 165151838
(3E)-4-fluorohexa-1,3-diene
CID 88586520
N-[(E)-2-methylpent-1-enyl]methanimine
CID 142044769
N-[(Z)-2-ethyl-4-methyl-3-methylidenepent-1-enyl]methanimine
CID 145384898
sodium (Z)-2-fluorobut-1-en-1-olate
CID 140663889
(Z)-1-ethoxy-2-(methylideneamino)ethenol
CID 20753163
N-[(E)-2-fluoro-3-(2-hydrazinylphenyl)prop-1-enyl]methanimine
CID 143838857
(E)-4-fluorohex-3-en-2-ol
CID 158264026
N-[(E)-hex-3-en-3-yl]methanimine
CID 130348791
[(E)-1,2-bis(methylideneamino)ethenyl] acetate
CID 143985283
(Z)-N-ethyl-2-methyl-3-(methylideneamino)prop-2-en-1-amine
CID 155175001
N-hexa-3,5-dien-3-ylmethanimine
CID 123675398

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-fluorobut-1-enyl]methanimine?
The IUPAC name of N-[(E)-2-fluorobut-1-enyl]methanimine (CID 134191875) is N-[(E)-2-fluorobut-1-enyl]methanimine.
What is the SMILES notation for N-[(E)-2-fluorobut-1-enyl]methanimine?
The canonical SMILES for N-[(E)-2-fluorobut-1-enyl]methanimine is C=N/C=C(/F)CC.
What is the InChIKey of N-[(E)-2-fluorobut-1-enyl]methanimine?
The InChIKey is BSJNMAXBAUXUPV-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H8FN/c1-3-5(6)4-7-2/h4H,2-3H2,1H3/b5-4+.
What are the key properties of N-[(E)-2-fluorobut-1-enyl]methanimine?
N-[(E)-2-fluorobut-1-enyl]methanimine has a molecular weight of 101.12 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-fluorobut-1-enyl]methanimine is sourced from PubChem (CID 134191875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).