1-(3,3-difluorocyclobutyl)ethanamine;hydrochloride

C6H12ClF2N — CID 105435006

IUPAC1-(3,3-difluorocyclobutyl)ethanamine;hydrochloride
SMILESCC(N)C1CC(F)(F)C1.Cl
InChIInChI=1S/C6H11F2N.ClH/c1-4(9)5-2-6(7,8)3-5;/h4-5H,2-3,9H2,1H3;1H
InChIKeyXYOIKVIEECCBCN-UHFFFAOYSA-N
MW171.62 g/mol
LogP1.80
Rot. Bonds1

About 1-(3,3-difluorocyclobutyl)ethanamine;hydrochloride

1-(3,3-difluorocyclobutyl)ethanamine;hydrochloride (PubChem CID 105435006) has the molecular formula C6H12ClF2N and a molecular weight of 171.62 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)ethanamine;hydrochloride
PubChem CID105435006
Molecular FormulaC6H12ClF2N
Molecular Weight171.62 g/mol
Exact Mass171.06
IUPAC Name1-(3,3-difluorocyclobutyl)ethanamine;hydrochloride
SMILESCC(N)C1CC(F)(F)C1.Cl
InChIInChI=1S/C6H11F2N.ClH/c1-4(9)5-2-6(7,8)3-5;/h4-5H,2-3,9H2,1H3;1H
InChIKeyXYOIKVIEECCBCN-UHFFFAOYSA-N
XLogP1.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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 1-(3,3-difluorocyclobutyl)ethanamine;hydrochloride?
The IUPAC name of 1-(3,3-difluorocyclobutyl)ethanamine;hydrochloride (CID 105435006) is 1-(3,3-difluorocyclobutyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)ethanamine;hydrochloride is CC(N)C1CC(F)(F)C1.Cl.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)ethanamine;hydrochloride?
The InChIKey is XYOIKVIEECCBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.ClH/c1-4(9)5-2-6(7,8)3-5;/h4-5H,2-3,9H2,1H3;1H.
What are the key properties of 1-(3,3-difluorocyclobutyl)ethanamine;hydrochloride?
1-(3,3-difluorocyclobutyl)ethanamine;hydrochloride has a molecular weight of 171.62 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)ethanamine;hydrochloride is sourced from PubChem (CID 105435006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).