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

C6H9ClF2N2 — CID 55279777

IUPAC2-amino-2-(3,3-difluorocyclobutyl)acetonitrile;hydrochloride
SMILESCl.N#CC(N)C1CC(F)(F)C1
InChIInChI=1S/C6H8F2N2.ClH/c7-6(8)1-4(2-6)5(10)3-9;/h4-5H,1-2,10H2;1H
InChIKeyKHHSKCARNRUUNM-UHFFFAOYSA-N
MW182.60 g/mol
LogP1.30
Rot. Bonds1

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

2-amino-2-(3,3-difluorocyclobutyl)acetonitrile;hydrochloride (PubChem CID 55279777) has the molecular formula C6H9ClF2N2 and a molecular weight of 182.60 g/mol. Its IUPAC name is 2-amino-2-(3,3-difluorocyclobutyl)acetonitrile;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(3,3-difluorocyclobutyl)acetonitrile;hydrochloride
PubChem CID55279777
Molecular FormulaC6H9ClF2N2
Molecular Weight182.60 g/mol
Exact Mass182.04
IUPAC Name2-amino-2-(3,3-difluorocyclobutyl)acetonitrile;hydrochloride
SMILESCl.N#CC(N)C1CC(F)(F)C1
InChIInChI=1S/C6H8F2N2.ClH/c7-6(8)1-4(2-6)5(10)3-9;/h4-5H,1-2,10H2;1H
InChIKeyKHHSKCARNRUUNM-UHFFFAOYSA-N
XLogP1.30
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.60
LogP ≤ 51.30
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;hydrochloride?
The IUPAC name of 2-amino-2-(3,3-difluorocyclobutyl)acetonitrile;hydrochloride (CID 55279777) is 2-amino-2-(3,3-difluorocyclobutyl)acetonitrile;hydrochloride.
What is the SMILES notation for 2-amino-2-(3,3-difluorocyclobutyl)acetonitrile;hydrochloride?
The canonical SMILES for 2-amino-2-(3,3-difluorocyclobutyl)acetonitrile;hydrochloride is Cl.N#CC(N)C1CC(F)(F)C1.
What is the InChIKey of 2-amino-2-(3,3-difluorocyclobutyl)acetonitrile;hydrochloride?
The InChIKey is KHHSKCARNRUUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2.ClH/c7-6(8)1-4(2-6)5(10)3-9;/h4-5H,1-2,10H2;1H.
What are the key properties of 2-amino-2-(3,3-difluorocyclobutyl)acetonitrile;hydrochloride?
2-amino-2-(3,3-difluorocyclobutyl)acetonitrile;hydrochloride has a molecular weight of 182.60 g/mol, XLogP of 1.30, 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;hydrochloride is sourced from PubChem (CID 55279777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).