2-amino-2-(3,3-difluorocyclobutyl)acetonitrile

C6H8F2N2 — CID 55279778

IUPAC2-amino-2-(3,3-difluorocyclobutyl)acetonitrile
SMILESN#CC(N)C1CC(F)(F)C1
InChIInChI=1S/C6H8F2N2/c7-6(8)1-4(2-6)5(10)3-9/h4-5H,1-2,10H2
InChIKeyKGGPTXQEQKSAID-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.88
Rot. Bonds1

About 2-amino-2-(3,3-difluorocyclobutyl)acetonitrile

2-amino-2-(3,3-difluorocyclobutyl)acetonitrile (PubChem CID 55279778) has the molecular formula C6H8F2N2 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2-amino-2-(3,3-difluorocyclobutyl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(3,3-difluorocyclobutyl)acetonitrile
PubChem CID55279778
Molecular FormulaC6H8F2N2
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC Name2-amino-2-(3,3-difluorocyclobutyl)acetonitrile
SMILESN#CC(N)C1CC(F)(F)C1
InChIInChI=1S/C6H8F2N2/c7-6(8)1-4(2-6)5(10)3-9/h4-5H,1-2,10H2
InChIKeyKGGPTXQEQKSAID-UHFFFAOYSA-N
XLogP0.88
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,3-difluorocyclobutyl)acetonitrile?
The IUPAC name of 2-amino-2-(3,3-difluorocyclobutyl)acetonitrile (CID 55279778) is 2-amino-2-(3,3-difluorocyclobutyl)acetonitrile.
What is the SMILES notation for 2-amino-2-(3,3-difluorocyclobutyl)acetonitrile?
The canonical SMILES for 2-amino-2-(3,3-difluorocyclobutyl)acetonitrile is N#CC(N)C1CC(F)(F)C1.
What is the InChIKey of 2-amino-2-(3,3-difluorocyclobutyl)acetonitrile?
The InChIKey is KGGPTXQEQKSAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2/c7-6(8)1-4(2-6)5(10)3-9/h4-5H,1-2,10H2.
What are the key properties of 2-amino-2-(3,3-difluorocyclobutyl)acetonitrile?
2-amino-2-(3,3-difluorocyclobutyl)acetonitrile has a molecular weight of 146.14 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,3-difluorocyclobutyl)acetonitrile is sourced from PubChem (CID 55279778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).