3-amino-4-(3,3-difluorocyclobutyl)butan-2-one

C8H13F2NO — CID 142882728

IUPAC3-amino-4-(3,3-difluorocyclobutyl)butan-2-one
SMILESCC(=O)C(N)CC1CC(F)(F)C1
InChIInChI=1S/C8H13F2NO/c1-5(12)7(11)2-6-3-8(9,10)4-6/h6-7H,2-4,11H2,1H3
InChIKeyLEKSFAZXVKMVCP-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.34
Rot. Bonds3

About 3-amino-4-(3,3-difluorocyclobutyl)butan-2-one

3-amino-4-(3,3-difluorocyclobutyl)butan-2-one (PubChem CID 142882728) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 3-amino-4-(3,3-difluorocyclobutyl)butan-2-one.

Molecular Properties

Compound Name3-amino-4-(3,3-difluorocyclobutyl)butan-2-one
PubChem CID142882728
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name3-amino-4-(3,3-difluorocyclobutyl)butan-2-one
SMILESCC(=O)C(N)CC1CC(F)(F)C1
InChIInChI=1S/C8H13F2NO/c1-5(12)7(11)2-6-3-8(9,10)4-6/h6-7H,2-4,11H2,1H3
InChIKeyLEKSFAZXVKMVCP-UHFFFAOYSA-N
XLogP1.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-amino-3-(3,3-difluorocyclobutyl)propanoate
CID 138987441
3-amino-4-cyclohexylbutan-2-one
CID 20668322
diethyl 2-[(3,3-difluorocyclobutyl)methyl]propanedioate
CID 90081340
2-amino-3-(3,3-difluorocyclopentyl)propanamide
CID 130487339
(2S)-2-amino-3-(4,4-difluorocyclohexyl)propanoic acid;hydrochloride
CID 138958473
4-(3,3-difluorocyclobutyl)butan-2-one
CID 130963893
(3S)-3-amino-4-(1-bicyclo[1.1.1]pentanyl)butan-2-one
CID 152958771
4-amino-5-cyclobutylpentane-2,3-dione
CID 59655547
2-amino-4-(3,3-difluorocyclohexyl)butanoic acid
CID 164530886
2-amino-3-cyclopropylpropanoic acid
CID 519178
(Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione
CID 166997414
3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol
CID 164658398

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3,3-difluorocyclobutyl)butan-2-one?
The IUPAC name of 3-amino-4-(3,3-difluorocyclobutyl)butan-2-one (CID 142882728) is 3-amino-4-(3,3-difluorocyclobutyl)butan-2-one.
What is the SMILES notation for 3-amino-4-(3,3-difluorocyclobutyl)butan-2-one?
The canonical SMILES for 3-amino-4-(3,3-difluorocyclobutyl)butan-2-one is CC(=O)C(N)CC1CC(F)(F)C1.
What is the InChIKey of 3-amino-4-(3,3-difluorocyclobutyl)butan-2-one?
The InChIKey is LEKSFAZXVKMVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-5(12)7(11)2-6-3-8(9,10)4-6/h6-7H,2-4,11H2,1H3.
What are the key properties of 3-amino-4-(3,3-difluorocyclobutyl)butan-2-one?
3-amino-4-(3,3-difluorocyclobutyl)butan-2-one has a molecular weight of 177.19 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3,3-difluorocyclobutyl)butan-2-one is sourced from PubChem (CID 142882728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).