2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetonitrile

C11H10F2N2 — CID 43151692

IUPAC2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetonitrile
SMILESN#CC(NC1CC1)c1c(F)cccc1F
InChIInChI=1S/C11H10F2N2/c12-8-2-1-3-9(13)11(8)10(6-14)15-7-4-5-7/h1-3,7,10,15H,4-5H2
InChIKeyYCSPGCUAZMIZHQ-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.28
Rot. Bonds3

About 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetonitrile

2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetonitrile (PubChem CID 43151692) has the molecular formula C11H10F2N2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetonitrile
PubChem CID43151692
Molecular FormulaC11H10F2N2
Molecular Weight208.21 g/mol
Exact Mass208.08
IUPAC Name2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetonitrile
SMILESN#CC(NC1CC1)c1c(F)cccc1F
InChIInChI=1S/C11H10F2N2/c12-8-2-1-3-9(13)11(8)10(6-14)15-7-4-5-7/h1-3,7,10,15H,4-5H2
InChIKeyYCSPGCUAZMIZHQ-UHFFFAOYSA-N
XLogP2.28
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetonitrile?
The IUPAC name of 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetonitrile (CID 43151692) is 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetonitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetonitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetonitrile is N#CC(NC1CC1)c1c(F)cccc1F.
What is the InChIKey of 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetonitrile?
The InChIKey is YCSPGCUAZMIZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2/c12-8-2-1-3-9(13)11(8)10(6-14)15-7-4-5-7/h1-3,7,10,15H,4-5H2.
What are the key properties of 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetonitrile?
2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetonitrile has a molecular weight of 208.21 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetonitrile is sourced from PubChem (CID 43151692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).