2-(3,3-difluorocyclobutyl)ethanamine;hydrochloride

C6H12ClF2N — CID 90317583

IUPAC2-(3,3-difluorocyclobutyl)ethanamine;hydrochloride
SMILESCl.NCCC1CC(F)(F)C1
InChIInChI=1S/C6H11F2N.ClH/c7-6(8)3-5(4-6)1-2-9;/h5H,1-4,9H2;1H
InChIKeyCQMYOPFOVYWJNZ-UHFFFAOYSA-N
MW171.62 g/mol
LogP1.80
Rot. Bonds2

About 2-(3,3-difluorocyclobutyl)ethanamine;hydrochloride

2-(3,3-difluorocyclobutyl)ethanamine;hydrochloride (PubChem CID 90317583) has the molecular formula C6H12ClF2N and a molecular weight of 171.62 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)ethanamine;hydrochloride
PubChem CID90317583
Molecular FormulaC6H12ClF2N
Molecular Weight171.62 g/mol
Exact Mass171.06
IUPAC Name2-(3,3-difluorocyclobutyl)ethanamine;hydrochloride
SMILESCl.NCCC1CC(F)(F)C1
InChIInChI=1S/C6H11F2N.ClH/c7-6(8)3-5(4-6)1-2-9;/h5H,1-4,9H2;1H
InChIKeyCQMYOPFOVYWJNZ-UHFFFAOYSA-N
XLogP1.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.62
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)ethanamine;hydrochloride?
The IUPAC name of 2-(3,3-difluorocyclobutyl)ethanamine;hydrochloride (CID 90317583) is 2-(3,3-difluorocyclobutyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)ethanamine;hydrochloride is Cl.NCCC1CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)ethanamine;hydrochloride?
The InChIKey is CQMYOPFOVYWJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.ClH/c7-6(8)3-5(4-6)1-2-9;/h5H,1-4,9H2;1H.
What are the key properties of 2-(3,3-difluorocyclobutyl)ethanamine;hydrochloride?
2-(3,3-difluorocyclobutyl)ethanamine;hydrochloride has a molecular weight of 171.62 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)ethanamine;hydrochloride is sourced from PubChem (CID 90317583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).