1-(1-amino-3,3-difluorocyclobutyl)propan-2-one

C7H11F2NO — CID 175327835

IUPAC1-(1-amino-3,3-difluorocyclobutyl)propan-2-one
SMILESCC(=O)CC1(N)CC(F)(F)C1
InChIInChI=1S/C7H11F2NO/c1-5(11)2-6(10)3-7(8,9)4-6/h2-4,10H2,1H3
InChIKeyOMOTYEINWULLOY-UHFFFAOYSA-N
MW163.17 g/mol
LogP1.09
Rot. Bonds2

About 1-(1-amino-3,3-difluorocyclobutyl)propan-2-one

1-(1-amino-3,3-difluorocyclobutyl)propan-2-one (PubChem CID 175327835) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 1-(1-amino-3,3-difluorocyclobutyl)propan-2-one.

Molecular Properties

Compound Name1-(1-amino-3,3-difluorocyclobutyl)propan-2-one
PubChem CID175327835
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name1-(1-amino-3,3-difluorocyclobutyl)propan-2-one
SMILESCC(=O)CC1(N)CC(F)(F)C1
InChIInChI=1S/C7H11F2NO/c1-5(11)2-6(10)3-7(8,9)4-6/h2-4,10H2,1H3
InChIKeyOMOTYEINWULLOY-UHFFFAOYSA-N
XLogP1.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-amino-3,3-difluorocyclobutyl)acetamide
CID 90202766
1-(3-amino-1-methylazetidin-3-yl)propan-2-one
CID 115011480
1-ethyl-3,3-difluorocyclobutan-1-amine
CID 115011285
1-(4-amino-1-methylazepan-4-yl)propan-2-one
CID 115016769
1-(3-aminopyrrolidin-3-yl)propan-2-one
CID 115011479
tert-butyl 3-amino-3-(2-oxopropyl)piperidine-1-carboxylate
CID 115047871
1-bromopropan-2-one;ethane
CID 171800976
methyl 1-(bromomethyl)-3,3-difluorocyclobutane-1-carboxylate
CID 146155096
1-(2-ethyl-1,3-dithiolan-2-yl)propan-2-one
CID 14111946
2-methyl-2-(2-oxopropyl)cyclopentane-1,3-dione
CID 12546161
1-(3,3-difluoropyrrolidin-1-yl)propan-2-one
CID 58245657
1-bromopropan-2-one;hydrofluoride
CID 159011031

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3,3-difluorocyclobutyl)propan-2-one?
The IUPAC name of 1-(1-amino-3,3-difluorocyclobutyl)propan-2-one (CID 175327835) is 1-(1-amino-3,3-difluorocyclobutyl)propan-2-one.
What is the SMILES notation for 1-(1-amino-3,3-difluorocyclobutyl)propan-2-one?
The canonical SMILES for 1-(1-amino-3,3-difluorocyclobutyl)propan-2-one is CC(=O)CC1(N)CC(F)(F)C1.
What is the InChIKey of 1-(1-amino-3,3-difluorocyclobutyl)propan-2-one?
The InChIKey is OMOTYEINWULLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-5(11)2-6(10)3-7(8,9)4-6/h2-4,10H2,1H3.
What are the key properties of 1-(1-amino-3,3-difluorocyclobutyl)propan-2-one?
1-(1-amino-3,3-difluorocyclobutyl)propan-2-one has a molecular weight of 163.17 g/mol, XLogP of 1.09, 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-2-one is sourced from PubChem (CID 175327835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).