2-(2,4-dibromo-6-fluorophenyl)acetonitrile

C8H4Br2FN — CID 2773983

IUPAC2-(2,4-dibromo-6-fluorophenyl)acetonitrile
SMILESN#CCc1c(F)cc(Br)cc1Br
InChIInChI=1S/C8H4Br2FN/c9-5-3-7(10)6(1-2-12)8(11)4-5/h3-4H,1H2
InChIKeyNHMWCEOJLLMZEJ-UHFFFAOYSA-N
MW292.93 g/mol
LogP3.42
Rot. Bonds1

About 2-(2,4-dibromo-6-fluorophenyl)acetonitrile

2-(2,4-dibromo-6-fluorophenyl)acetonitrile (PubChem CID 2773983) has the molecular formula C8H4Br2FN and a molecular weight of 292.93 g/mol. Its IUPAC name is 2-(2,4-dibromo-6-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(2,4-dibromo-6-fluorophenyl)acetonitrile
PubChem CID2773983
Molecular FormulaC8H4Br2FN
Molecular Weight292.93 g/mol
Exact Mass290.87
IUPAC Name2-(2,4-dibromo-6-fluorophenyl)acetonitrile
SMILESN#CCc1c(F)cc(Br)cc1Br
InChIInChI=1S/C8H4Br2FN/c9-5-3-7(10)6(1-2-12)8(11)4-5/h3-4H,1H2
InChIKeyNHMWCEOJLLMZEJ-UHFFFAOYSA-N
XLogP3.42
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.93
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-(bromomethyl)-1,3-difluorobenzene;2-(4-bromo-2,6-difluorophenyl)acetonitrile
CID 160735694
2-(5-bromo-2,3-difluorophenyl)acetonitrile
CID 84795160
2-(5-bromo-3-fluoro-2-methylphenyl)acetonitrile
CID 131628335
2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetonitrile
CID 84793428
4-(cyanomethyl)-3,5-difluorobenzonitrile
CID 118821709
2-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)acetonitrile
CID 84805658
2-[3,6-dibromo-2-(cyanomethyl)phenyl]acetonitrile
CID 153406802
2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile
CID 84793424
2-(2-chloro-4,6-difluorophenyl)acetonitrile
CID 119020113
2-(2,6-difluoro-4-methoxyphenyl)acetonitrile
CID 3869500
4-(4-bromo-2,6-difluoroanilino)butanenitrile
CID 65467644
2-(4-bromo-5-fluoro-2-hydroxyphenyl)acetonitrile
CID 84793433

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-6-fluorophenyl)acetonitrile?
The IUPAC name of 2-(2,4-dibromo-6-fluorophenyl)acetonitrile (CID 2773983) is 2-(2,4-dibromo-6-fluorophenyl)acetonitrile.
What is the SMILES notation for 2-(2,4-dibromo-6-fluorophenyl)acetonitrile?
The canonical SMILES for 2-(2,4-dibromo-6-fluorophenyl)acetonitrile is N#CCc1c(F)cc(Br)cc1Br.
What is the InChIKey of 2-(2,4-dibromo-6-fluorophenyl)acetonitrile?
The InChIKey is NHMWCEOJLLMZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2FN/c9-5-3-7(10)6(1-2-12)8(11)4-5/h3-4H,1H2.
What are the key properties of 2-(2,4-dibromo-6-fluorophenyl)acetonitrile?
2-(2,4-dibromo-6-fluorophenyl)acetonitrile has a molecular weight of 292.93 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromo-6-fluorophenyl)acetonitrile is sourced from PubChem (CID 2773983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).