2-(4-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile

C9H8BrFN2 — CID 43364618

IUPAC2-(4-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile
SMILESCNC(C#N)c1ccc(Br)cc1F
InChIInChI=1S/C9H8BrFN2/c1-13-9(5-12)7-3-2-6(10)4-8(7)11/h2-4,9,13H,1H3
InChIKeyFMCHPOBQMSJFGY-UHFFFAOYSA-N
MW243.08 g/mol
LogP2.37
Rot. Bonds2

About 2-(4-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile

2-(4-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile (PubChem CID 43364618) has the molecular formula C9H8BrFN2 and a molecular weight of 243.08 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile
PubChem CID43364618
Molecular FormulaC9H8BrFN2
Molecular Weight243.08 g/mol
Exact Mass241.99
IUPAC Name2-(4-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile
SMILESCNC(C#N)c1ccc(Br)cc1F
InChIInChI=1S/C9H8BrFN2/c1-13-9(5-12)7-3-2-6(10)4-8(7)11/h2-4,9,13H,1H3
InChIKeyFMCHPOBQMSJFGY-UHFFFAOYSA-N
XLogP2.37
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.08
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(5-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile
CID 51675216
2-(4-bromo-2-fluorophenyl)-2-(propylamino)acetonitrile
CID 43364620
2-(4-bromo-2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 54887028
2-(4-bromo-2-fluorophenyl)-2-(3-methylanilino)acetonitrile
CID 54886740
2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetonitrile
CID 54894227
(2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile
CID 28520327
1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 43482234
2-(4-bromo-2-fluorophenyl)-2-(3-chloroanilino)acetonitrile
CID 54887298
2-(6-bromo-1H-indol-3-yl)-2-(methylamino)acetonitrile
CID 10422893
2-(3-azidopropylamino)-2-(4-bromo-2-fluorophenyl)acetonitrile
CID 66188503
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
1-(4-bromo-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114906280

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile (CID 43364618) is 2-(4-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile is CNC(C#N)c1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile?
The InChIKey is FMCHPOBQMSJFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2/c1-13-9(5-12)7-3-2-6(10)4-8(7)11/h2-4,9,13H,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile?
2-(4-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile has a molecular weight of 243.08 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile is sourced from PubChem (CID 43364618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).