2-fluoro-N-prop-1-en-2-ylprop-2-enimidoyl bromide

C6H7BrFN — CID 145449100

IUPAC2-fluoro-N-prop-1-en-2-ylprop-2-enimidoyl bromide
SMILESC=C(C)/N=C(\Br)C(=C)F
InChIInChI=1S/C6H7BrFN/c1-4(2)9-6(7)5(3)8/h1,3H2,2H3/b9-6-
InChIKeyCEZFPOQLEUTKPR-TWGQIWQCSA-N
MW192.03 g/mol
LogP2.80
Rot. Bonds2

About 2-fluoro-N-prop-1-en-2-ylprop-2-enimidoyl bromide

2-fluoro-N-prop-1-en-2-ylprop-2-enimidoyl bromide (PubChem CID 145449100) has the molecular formula C6H7BrFN and a molecular weight of 192.03 g/mol. Its IUPAC name is 2-fluoro-N-prop-1-en-2-ylprop-2-enimidoyl bromide.

Molecular Properties

Compound Name2-fluoro-N-prop-1-en-2-ylprop-2-enimidoyl bromide
PubChem CID145449100
Molecular FormulaC6H7BrFN
Molecular Weight192.03 g/mol
Exact Mass190.97
IUPAC Name2-fluoro-N-prop-1-en-2-ylprop-2-enimidoyl bromide
SMILESC=C(C)/N=C(\Br)C(=C)F
InChIInChI=1S/C6H7BrFN/c1-4(2)9-6(7)5(3)8/h1,3H2,2H3/b9-6-
InChIKeyCEZFPOQLEUTKPR-TWGQIWQCSA-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'}

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Related Compounds

(3Z)-4-bromo-2-fluoropenta-1,3-dien-3-ol
CID 178163721
(Z)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine
CID 142024841
N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide
CID 91589459
N-prop-1-en-2-ylprop-2-enimidoyl cyanide
CID 143976470
3-fluorobut-3-en-2-one
CID 158766969
3,4-dimethyl-N-prop-1-en-2-ylpent-3-en-2-imine
CID 144835890
ethane;N-methylmethanimine;N-prop-1-en-2-ylmethanimine
CID 143372757
2-prop-1-en-2-yliminopropanal
CID 144727018
(2E)-2-bromo-N-methylpenta-2,4-dienimidoyl fluoride
CID 143998340
N-[(2E)-4-fluoro-3-(trifluoromethyl)penta-2,4-dien-2-yl]propan-2-imine
CID 167254228
(3Z)-5-bromo-3-(1-fluoroethenyl)hexa-3,5-dien-2-one
CID 143571697
(Z)-N-[(Z)-1-bromo-2-fluoroprop-1-enyl]ethanimine
CID 156821368

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-prop-1-en-2-ylprop-2-enimidoyl bromide?
The IUPAC name of 2-fluoro-N-prop-1-en-2-ylprop-2-enimidoyl bromide (CID 145449100) is 2-fluoro-N-prop-1-en-2-ylprop-2-enimidoyl bromide.
What is the SMILES notation for 2-fluoro-N-prop-1-en-2-ylprop-2-enimidoyl bromide?
The canonical SMILES for 2-fluoro-N-prop-1-en-2-ylprop-2-enimidoyl bromide is C=C(C)/N=C(\Br)C(=C)F.
What is the InChIKey of 2-fluoro-N-prop-1-en-2-ylprop-2-enimidoyl bromide?
The InChIKey is CEZFPOQLEUTKPR-TWGQIWQCSA-N. The full InChI is InChI=1S/C6H7BrFN/c1-4(2)9-6(7)5(3)8/h1,3H2,2H3/b9-6-.
What are the key properties of 2-fluoro-N-prop-1-en-2-ylprop-2-enimidoyl bromide?
2-fluoro-N-prop-1-en-2-ylprop-2-enimidoyl bromide 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 2-fluoro-N-prop-1-en-2-ylprop-2-enimidoyl bromide is sourced from PubChem (CID 145449100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).