2-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)acetonitrile

C11H10BrFN2 — CID 43151679

IUPAC2-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)acetonitrile
SMILESN#CC(NC1CC1)c1cc(Br)ccc1F
InChIInChI=1S/C11H10BrFN2/c12-7-1-4-10(13)9(5-7)11(6-14)15-8-2-3-8/h1,4-5,8,11,15H,2-3H2
InChIKeyUEMZGYRDOIOJHM-UHFFFAOYSA-N
MW269.12 g/mol
LogP2.90
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)acetonitrile

2-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)acetonitrile (PubChem CID 43151679) has the molecular formula C11H10BrFN2 and a molecular weight of 269.12 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)acetonitrile.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)acetonitrile
PubChem CID43151679
Molecular FormulaC11H10BrFN2
Molecular Weight269.12 g/mol
Exact Mass268.00
IUPAC Name2-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)acetonitrile
SMILESN#CC(NC1CC1)c1cc(Br)ccc1F
InChIInChI=1S/C11H10BrFN2/c12-7-1-4-10(13)9(5-7)11(6-14)15-8-2-3-8/h1,4-5,8,11,15H,2-3H2
InChIKeyUEMZGYRDOIOJHM-UHFFFAOYSA-N
XLogP2.90
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.12
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)acetonitrile?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)acetonitrile (CID 43151679) is 2-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)acetonitrile.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)acetonitrile?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)acetonitrile is N#CC(NC1CC1)c1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)acetonitrile?
The InChIKey is UEMZGYRDOIOJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2/c12-7-1-4-10(13)9(5-7)11(6-14)15-8-2-3-8/h1,4-5,8,11,15H,2-3H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)acetonitrile?
2-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)acetonitrile has a molecular weight of 269.12 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)acetonitrile is sourced from PubChem (CID 43151679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).