1-(1-amino-3,3-difluorocyclobutyl)propan-1-one;hydrochloride

C7H12ClF2NO — CID 171923930

IUPAC1-(1-amino-3,3-difluorocyclobutyl)propan-1-one;hydrochloride
SMILESCCC(=O)C1(N)CC(F)(F)C1.Cl
InChIInChI=1S/C7H11F2NO.ClH/c1-2-5(11)6(10)3-7(8,9)4-6;/h2-4,10H2,1H3;1H
InChIKeyIWHCCIZEOGLFDG-UHFFFAOYSA-N
MW199.63 g/mol
LogP1.51
Rot. Bonds2

About 1-(1-amino-3,3-difluorocyclobutyl)propan-1-one;hydrochloride

1-(1-amino-3,3-difluorocyclobutyl)propan-1-one;hydrochloride (PubChem CID 171923930) has the molecular formula C7H12ClF2NO and a molecular weight of 199.63 g/mol. Its IUPAC name is 1-(1-amino-3,3-difluorocyclobutyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(1-amino-3,3-difluorocyclobutyl)propan-1-one;hydrochloride
PubChem CID171923930
Molecular FormulaC7H12ClF2NO
Molecular Weight199.63 g/mol
Exact Mass199.06
IUPAC Name1-(1-amino-3,3-difluorocyclobutyl)propan-1-one;hydrochloride
SMILESCCC(=O)C1(N)CC(F)(F)C1.Cl
InChIInChI=1S/C7H11F2NO.ClH/c1-2-5(11)6(10)3-7(8,9)4-6;/h2-4,10H2,1H3;1H
InChIKeyIWHCCIZEOGLFDG-UHFFFAOYSA-N
XLogP1.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.63
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3,3-difluorocyclobutyl)propan-1-one;hydrochloride?
The IUPAC name of 1-(1-amino-3,3-difluorocyclobutyl)propan-1-one;hydrochloride (CID 171923930) is 1-(1-amino-3,3-difluorocyclobutyl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(1-amino-3,3-difluorocyclobutyl)propan-1-one;hydrochloride?
The canonical SMILES for 1-(1-amino-3,3-difluorocyclobutyl)propan-1-one;hydrochloride is CCC(=O)C1(N)CC(F)(F)C1.Cl.
What is the InChIKey of 1-(1-amino-3,3-difluorocyclobutyl)propan-1-one;hydrochloride?
The InChIKey is IWHCCIZEOGLFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO.ClH/c1-2-5(11)6(10)3-7(8,9)4-6;/h2-4,10H2,1H3;1H.
What are the key properties of 1-(1-amino-3,3-difluorocyclobutyl)propan-1-one;hydrochloride?
1-(1-amino-3,3-difluorocyclobutyl)propan-1-one;hydrochloride has a molecular weight of 199.63 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3,3-difluorocyclobutyl)propan-1-one;hydrochloride is sourced from PubChem (CID 171923930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).