(3,3-difluoro-1-propanoylcyclobutyl)azanium chloride

C7H12ClF2NO — CID 134586591

IUPAC(3,3-difluoro-1-propanoylcyclobutyl)azanium chloride
SMILESCCC(=O)C1([NH3+])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
LogP-2.62
Rot. Bonds2

About (3,3-difluoro-1-propanoylcyclobutyl)azanium chloride

(3,3-difluoro-1-propanoylcyclobutyl)azanium chloride (PubChem CID 134586591) has the molecular formula C7H12ClF2NO and a molecular weight of 199.63 g/mol. Its IUPAC name is (3,3-difluoro-1-propanoylcyclobutyl)azanium chloride.

Molecular Properties

Compound Name(3,3-difluoro-1-propanoylcyclobutyl)azanium chloride
PubChem CID134586591
Molecular FormulaC7H12ClF2NO
Molecular Weight199.63 g/mol
Exact Mass199.06
IUPAC Name(3,3-difluoro-1-propanoylcyclobutyl)azanium chloride
SMILESCCC(=O)C1([NH3+])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
XLogP-2.62
TPSA44.71 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.63
LogP ≤ 5-2.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-1-propanoylcyclobutyl)azanium chloride?
The IUPAC name of (3,3-difluoro-1-propanoylcyclobutyl)azanium chloride (CID 134586591) is (3,3-difluoro-1-propanoylcyclobutyl)azanium chloride.
What is the SMILES notation for (3,3-difluoro-1-propanoylcyclobutyl)azanium chloride?
The canonical SMILES for (3,3-difluoro-1-propanoylcyclobutyl)azanium chloride is CCC(=O)C1([NH3+])CC(F)(F)C1.[Cl-].
What is the InChIKey of (3,3-difluoro-1-propanoylcyclobutyl)azanium chloride?
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 (3,3-difluoro-1-propanoylcyclobutyl)azanium chloride?
(3,3-difluoro-1-propanoylcyclobutyl)azanium chloride has a molecular weight of 199.63 g/mol, XLogP of -2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-1-propanoylcyclobutyl)azanium chloride is sourced from PubChem (CID 134586591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).