(Z)-N-(1-bromoethenyl)-3-fluorobut-3-en-2-imine

C6H7BrFN — CID 162729742

IUPAC(Z)-N-(1-bromoethenyl)-3-fluorobut-3-en-2-imine
SMILESC=C(Br)/N=C(/C)C(=C)F
InChIInChI=1S/C6H7BrFN/c1-4(8)5(2)9-6(3)7/h1,3H2,2H3/b9-5-
InChIKeyVQXFKQRGQYFQIQ-UITAMQMPSA-N
MW192.03 g/mol
LogP2.80
Rot. Bonds2

About (Z)-N-(1-bromoethenyl)-3-fluorobut-3-en-2-imine

(Z)-N-(1-bromoethenyl)-3-fluorobut-3-en-2-imine (PubChem CID 162729742) has the molecular formula C6H7BrFN and a molecular weight of 192.03 g/mol. Its IUPAC name is (Z)-N-(1-bromoethenyl)-3-fluorobut-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-(1-bromoethenyl)-3-fluorobut-3-en-2-imine
PubChem CID162729742
Molecular FormulaC6H7BrFN
Molecular Weight192.03 g/mol
Exact Mass190.97
IUPAC Name(Z)-N-(1-bromoethenyl)-3-fluorobut-3-en-2-imine
SMILESC=C(Br)/N=C(/C)C(=C)F
InChIInChI=1S/C6H7BrFN/c1-4(8)5(2)9-6(3)7/h1,3H2,2H3/b9-5-
InChIKeyVQXFKQRGQYFQIQ-UITAMQMPSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.03
LogP ≤ 52.80
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

(Z)-3-fluoro-N-(1-fluoroethenyl)but-3-en-2-imine
CID 144251796
(Z)-N-(1-bromoethenyl)-2-fluoropent-1-en-3-imine
CID 162730110
(E)-N-(1-bromoethenyl)-1,1,1-trifluorobut-3-en-2-imine
CID 164917234
(Z)-N-(1-bromoethenyl)but-3-en-2-imine
CID 144525018
(Z)-N-(1-bromoethenyl)-2-fluoropent-1-en-3-imine;ethane
CID 162730109
(Z)-3-bromo-N-(1-bromoethenyl)but-3-en-2-imine
CID 166105638
N-[(E)-1-bromoprop-1-enyl]but-3-en-2-imine
CID 174098944

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-bromoethenyl)-3-fluorobut-3-en-2-imine?
The IUPAC name of (Z)-N-(1-bromoethenyl)-3-fluorobut-3-en-2-imine (CID 162729742) is (Z)-N-(1-bromoethenyl)-3-fluorobut-3-en-2-imine.
What is the SMILES notation for (Z)-N-(1-bromoethenyl)-3-fluorobut-3-en-2-imine?
The canonical SMILES for (Z)-N-(1-bromoethenyl)-3-fluorobut-3-en-2-imine is C=C(Br)/N=C(/C)C(=C)F.
What is the InChIKey of (Z)-N-(1-bromoethenyl)-3-fluorobut-3-en-2-imine?
The InChIKey is VQXFKQRGQYFQIQ-UITAMQMPSA-N. The full InChI is InChI=1S/C6H7BrFN/c1-4(8)5(2)9-6(3)7/h1,3H2,2H3/b9-5-.
What are the key properties of (Z)-N-(1-bromoethenyl)-3-fluorobut-3-en-2-imine?
(Z)-N-(1-bromoethenyl)-3-fluorobut-3-en-2-imine has a molecular weight of 192.03 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-bromoethenyl)-3-fluorobut-3-en-2-imine is sourced from PubChem (CID 162729742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).