(Z)-N-[(Z)-1-bromo-2-fluoroprop-1-enyl]ethanimine

C5H7BrFN — CID 156821368

IUPAC(Z)-N-[(Z)-1-bromo-2-fluoroprop-1-enyl]ethanimine
SMILESC/C=N\C(Br)=C(/C)F
InChIInChI=1S/C5H7BrFN/c1-3-8-5(6)4(2)7/h3H,1-2H3/b5-4+,8-3-
InChIKeyAFJXMTDVMBWLRI-GOZDTHDVSA-N
MW180.02 g/mol
LogP2.63
Rot. Bonds1

About (Z)-N-[(Z)-1-bromo-2-fluoroprop-1-enyl]ethanimine

(Z)-N-[(Z)-1-bromo-2-fluoroprop-1-enyl]ethanimine (PubChem CID 156821368) has the molecular formula C5H7BrFN and a molecular weight of 180.02 g/mol. Its IUPAC name is (Z)-N-[(Z)-1-bromo-2-fluoroprop-1-enyl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[(Z)-1-bromo-2-fluoroprop-1-enyl]ethanimine
PubChem CID156821368
Molecular FormulaC5H7BrFN
Molecular Weight180.02 g/mol
Exact Mass178.97
IUPAC Name(Z)-N-[(Z)-1-bromo-2-fluoroprop-1-enyl]ethanimine
SMILESC/C=N\C(Br)=C(/C)F
InChIInChI=1S/C5H7BrFN/c1-3-8-5(6)4(2)7/h3H,1-2H3/b5-4+,8-3-
InChIKeyAFJXMTDVMBWLRI-GOZDTHDVSA-N
XLogP2.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.02
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-ethylidene-N'-methylethanimidamide
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(E)-2,3-difluorobut-2-ene
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N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine
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ethene;N-ethylideneethanimidamide;niobium
CID 178051970
1-[1-(ethylideneamino)ethylideneamino]ethylidenevanadium
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N-[(Z)-1-methylsulfanylprop-1-en-2-yl]ethanimine
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2-fluoro-N-prop-1-en-2-ylprop-2-enimidoyl bromide
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N-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine
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CID 142531595

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-1-bromo-2-fluoroprop-1-enyl]ethanimine?
The IUPAC name of (Z)-N-[(Z)-1-bromo-2-fluoroprop-1-enyl]ethanimine (CID 156821368) is (Z)-N-[(Z)-1-bromo-2-fluoroprop-1-enyl]ethanimine.
What is the SMILES notation for (Z)-N-[(Z)-1-bromo-2-fluoroprop-1-enyl]ethanimine?
The canonical SMILES for (Z)-N-[(Z)-1-bromo-2-fluoroprop-1-enyl]ethanimine is C/C=N\C(Br)=C(/C)F.
What is the InChIKey of (Z)-N-[(Z)-1-bromo-2-fluoroprop-1-enyl]ethanimine?
The InChIKey is AFJXMTDVMBWLRI-GOZDTHDVSA-N. The full InChI is InChI=1S/C5H7BrFN/c1-3-8-5(6)4(2)7/h3H,1-2H3/b5-4+,8-3-.
What are the key properties of (Z)-N-[(Z)-1-bromo-2-fluoroprop-1-enyl]ethanimine?
(Z)-N-[(Z)-1-bromo-2-fluoroprop-1-enyl]ethanimine has a molecular weight of 180.02 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-1-bromo-2-fluoroprop-1-enyl]ethanimine is sourced from PubChem (CID 156821368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).