zinc;(3-fluorobenzene-4-id-1-yl)methanamine;bromide

C7H7BrFNZn — CID 174597136

IUPACzinc;(3-fluorobenzene-4-id-1-yl)methanamine;bromide
SMILESNCc1cc[c-]c(F)c1.[Br-].[Zn+2]
InChIInChI=1S/C7H7FN.BrH.Zn/c8-7-3-1-2-6(4-7)5-9;;/h1-2,4H,5,9H2;1H;/q-1;;+2/p-1
InChIKeyDOWJCLKAIRDXDK-UHFFFAOYSA-M
MW269.43 g/mol
LogP-1.91
Rot. Bonds1

About zinc;(3-fluorobenzene-4-id-1-yl)methanamine;bromide

zinc;(3-fluorobenzene-4-id-1-yl)methanamine;bromide (PubChem CID 174597136) has the molecular formula C7H7BrFNZn and a molecular weight of 269.43 g/mol. Its IUPAC name is zinc;(3-fluorobenzene-4-id-1-yl)methanamine;bromide.

Molecular Properties

Compound Namezinc;(3-fluorobenzene-4-id-1-yl)methanamine;bromide
PubChem CID174597136
Molecular FormulaC7H7BrFNZn
Molecular Weight269.43 g/mol
Exact Mass266.90
IUPAC Namezinc;(3-fluorobenzene-4-id-1-yl)methanamine;bromide
SMILESNCc1cc[c-]c(F)c1.[Br-].[Zn+2]
InChIInChI=1S/C7H7FN.BrH.Zn/c8-7-3-1-2-6(4-7)5-9;;/h1-2,4H,5,9H2;1H;/q-1;;+2/p-1
InChIKeyDOWJCLKAIRDXDK-UHFFFAOYSA-M
XLogP-1.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 5-1.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

sodium [3-(aminomethyl)benzene-4-id-1-yl]methanamine
CID 172713558
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)methanamine;bis(2-pyridin-2-ylpyridine)
CID 176846109
5-(aminomethyl)-2-fluorobenzenethiol
CID 90352898
(5-fluoro-3-pyridinyl)methanamine;hydrochloride
CID 84819354
(5-fluoro-3-pyridinyl)methanamine;dihydrochloride
CID 119081474
[6-(aminomethyl)naphthalen-2-yl]methanamine
CID 67748708
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
(3-chloro-4-fluorophenyl)methanamine;methoxymethane
CID 144849872
5-(aminomethyl)-2-fluorophenol;hydrobromide
CID 68744209
[3-(fluoromethyl)phenyl]methanamine
CID 58789244
[4-(difluoromethyl)-3-fluorophenyl]methanamine
CID 84655122

Frequently Asked Questions

What is the IUPAC name of zinc;(3-fluorobenzene-4-id-1-yl)methanamine;bromide?
The IUPAC name of zinc;(3-fluorobenzene-4-id-1-yl)methanamine;bromide (CID 174597136) is zinc;(3-fluorobenzene-4-id-1-yl)methanamine;bromide.
What is the SMILES notation for zinc;(3-fluorobenzene-4-id-1-yl)methanamine;bromide?
The canonical SMILES for zinc;(3-fluorobenzene-4-id-1-yl)methanamine;bromide is NCc1cc[c-]c(F)c1.[Br-].[Zn+2].
What is the InChIKey of zinc;(3-fluorobenzene-4-id-1-yl)methanamine;bromide?
The InChIKey is DOWJCLKAIRDXDK-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7FN.BrH.Zn/c8-7-3-1-2-6(4-7)5-9;;/h1-2,4H,5,9H2;1H;/q-1;;+2/p-1.
What are the key properties of zinc;(3-fluorobenzene-4-id-1-yl)methanamine;bromide?
zinc;(3-fluorobenzene-4-id-1-yl)methanamine;bromide has a molecular weight of 269.43 g/mol, XLogP of -1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;(3-fluorobenzene-4-id-1-yl)methanamine;bromide is sourced from PubChem (CID 174597136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).