2-amino-3-[1-(trifluoromethyl)cyclopropyl]propanenitrile

C7H9F3N2 — CID 166998450

IUPAC2-amino-3-[1-(trifluoromethyl)cyclopropyl]propanenitrile
SMILESN#CC(N)CC1(C(F)(F)F)CC1
InChIInChI=1S/C7H9F3N2/c8-7(9,10)6(1-2-6)3-5(12)4-11/h5H,1-3,12H2
InChIKeyIFZZPOSAWWNMTK-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.57
Rot. Bonds2

About 2-amino-3-[1-(trifluoromethyl)cyclopropyl]propanenitrile

2-amino-3-[1-(trifluoromethyl)cyclopropyl]propanenitrile (PubChem CID 166998450) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 2-amino-3-[1-(trifluoromethyl)cyclopropyl]propanenitrile.

Molecular Properties

Compound Name2-amino-3-[1-(trifluoromethyl)cyclopropyl]propanenitrile
PubChem CID166998450
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name2-amino-3-[1-(trifluoromethyl)cyclopropyl]propanenitrile
SMILESN#CC(N)CC1(C(F)(F)F)CC1
InChIInChI=1S/C7H9F3N2/c8-7(9,10)6(1-2-6)3-5(12)4-11/h5H,1-3,12H2
InChIKeyIFZZPOSAWWNMTK-UHFFFAOYSA-N
XLogP1.57
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-(trifluoromethyl)cyclopropyl]propanenitrile?
The IUPAC name of 2-amino-3-[1-(trifluoromethyl)cyclopropyl]propanenitrile (CID 166998450) is 2-amino-3-[1-(trifluoromethyl)cyclopropyl]propanenitrile.
What is the SMILES notation for 2-amino-3-[1-(trifluoromethyl)cyclopropyl]propanenitrile?
The canonical SMILES for 2-amino-3-[1-(trifluoromethyl)cyclopropyl]propanenitrile is N#CC(N)CC1(C(F)(F)F)CC1.
What is the InChIKey of 2-amino-3-[1-(trifluoromethyl)cyclopropyl]propanenitrile?
The InChIKey is IFZZPOSAWWNMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c8-7(9,10)6(1-2-6)3-5(12)4-11/h5H,1-3,12H2.
What are the key properties of 2-amino-3-[1-(trifluoromethyl)cyclopropyl]propanenitrile?
2-amino-3-[1-(trifluoromethyl)cyclopropyl]propanenitrile has a molecular weight of 178.16 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-(trifluoromethyl)cyclopropyl]propanenitrile is sourced from PubChem (CID 166998450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).