2-amino-2-[1-(trifluoromethyl)cyclobutyl]acetonitrile

C7H9F3N2 — CID 167481011

IUPAC2-amino-2-[1-(trifluoromethyl)cyclobutyl]acetonitrile
SMILESN#CC(N)C1(C(F)(F)F)CCC1
InChIInChI=1S/C7H9F3N2/c8-7(9,10)6(2-1-3-6)5(12)4-11/h5H,1-3,12H2
InChIKeyFZGOQDJMLVTWMB-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.57
Rot. Bonds1

About 2-amino-2-[1-(trifluoromethyl)cyclobutyl]acetonitrile

2-amino-2-[1-(trifluoromethyl)cyclobutyl]acetonitrile (PubChem CID 167481011) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 2-amino-2-[1-(trifluoromethyl)cyclobutyl]acetonitrile.

Molecular Properties

Compound Name2-amino-2-[1-(trifluoromethyl)cyclobutyl]acetonitrile
PubChem CID167481011
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name2-amino-2-[1-(trifluoromethyl)cyclobutyl]acetonitrile
SMILESN#CC(N)C1(C(F)(F)F)CCC1
InChIInChI=1S/C7H9F3N2/c8-7(9,10)6(2-1-3-6)5(12)4-11/h5H,1-3,12H2
InChIKeyFZGOQDJMLVTWMB-UHFFFAOYSA-N
XLogP1.57
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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-2-[1-(trifluoromethyl)cyclobutyl]acetonitrile?
The IUPAC name of 2-amino-2-[1-(trifluoromethyl)cyclobutyl]acetonitrile (CID 167481011) is 2-amino-2-[1-(trifluoromethyl)cyclobutyl]acetonitrile.
What is the SMILES notation for 2-amino-2-[1-(trifluoromethyl)cyclobutyl]acetonitrile?
The canonical SMILES for 2-amino-2-[1-(trifluoromethyl)cyclobutyl]acetonitrile is N#CC(N)C1(C(F)(F)F)CCC1.
What is the InChIKey of 2-amino-2-[1-(trifluoromethyl)cyclobutyl]acetonitrile?
The InChIKey is FZGOQDJMLVTWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c8-7(9,10)6(2-1-3-6)5(12)4-11/h5H,1-3,12H2.
What are the key properties of 2-amino-2-[1-(trifluoromethyl)cyclobutyl]acetonitrile?
2-amino-2-[1-(trifluoromethyl)cyclobutyl]acetonitrile has a molecular weight of 178.16 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[1-(trifluoromethyl)cyclobutyl]acetonitrile is sourced from PubChem (CID 167481011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).