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

C7H12F2NO+ — CID 140877012

IUPAC(3,3-difluoro-1-propanoylcyclobutyl)azanium
SMILESCCC(=O)C1([NH3+])CC(F)(F)C1
InChIInChI=1S/C7H11F2NO/c1-2-5(11)6(10)3-7(8,9)4-6/h2-4,10H2,1H3/p+1
InChIKeyKFFHLPFUTSOKLR-UHFFFAOYSA-O
MW164.17 g/mol
LogP0.38
Rot. Bonds2

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

(3,3-difluoro-1-propanoylcyclobutyl)azanium (PubChem CID 140877012) has the molecular formula C7H12F2NO+ and a molecular weight of 164.17 g/mol. Its IUPAC name is (3,3-difluoro-1-propanoylcyclobutyl)azanium.

Molecular Properties

Compound Name(3,3-difluoro-1-propanoylcyclobutyl)azanium
PubChem CID140877012
Molecular FormulaC7H12F2NO+
Molecular Weight164.17 g/mol
Exact Mass164.09
IUPAC Name(3,3-difluoro-1-propanoylcyclobutyl)azanium
SMILESCCC(=O)C1([NH3+])CC(F)(F)C1
InChIInChI=1S/C7H11F2NO/c1-2-5(11)6(10)3-7(8,9)4-6/h2-4,10H2,1H3/p+1
InChIKeyKFFHLPFUTSOKLR-UHFFFAOYSA-O
XLogP0.38
TPSA44.71 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.38
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?
The IUPAC name of (3,3-difluoro-1-propanoylcyclobutyl)azanium (CID 140877012) is (3,3-difluoro-1-propanoylcyclobutyl)azanium.
What is the SMILES notation for (3,3-difluoro-1-propanoylcyclobutyl)azanium?
The canonical SMILES for (3,3-difluoro-1-propanoylcyclobutyl)azanium is CCC(=O)C1([NH3+])CC(F)(F)C1.
What is the InChIKey of (3,3-difluoro-1-propanoylcyclobutyl)azanium?
The InChIKey is KFFHLPFUTSOKLR-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H11F2NO/c1-2-5(11)6(10)3-7(8,9)4-6/h2-4,10H2,1H3/p+1.
What are the key properties of (3,3-difluoro-1-propanoylcyclobutyl)azanium?
(3,3-difluoro-1-propanoylcyclobutyl)azanium has a molecular weight of 164.17 g/mol, XLogP of 0.38, 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 is sourced from PubChem (CID 140877012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).