2-[1-(1,1-difluoroethyl)cyclobutyl]propanamide

C9H15F2NO — CID 142900456

IUPAC2-[1-(1,1-difluoroethyl)cyclobutyl]propanamide
SMILESCC(C(N)=O)C1(C(C)(F)F)CCC1
InChIInChI=1S/C9H15F2NO/c1-6(7(12)13)9(4-3-5-9)8(2,10)11/h6H,3-5H2,1-2H3,(H2,12,13)
InChIKeyDLSDOGJJQWNTEP-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.93
Rot. Bonds3

About 2-[1-(1,1-difluoroethyl)cyclobutyl]propanamide

2-[1-(1,1-difluoroethyl)cyclobutyl]propanamide (PubChem CID 142900456) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 2-[1-(1,1-difluoroethyl)cyclobutyl]propanamide.

Molecular Properties

Compound Name2-[1-(1,1-difluoroethyl)cyclobutyl]propanamide
PubChem CID142900456
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name2-[1-(1,1-difluoroethyl)cyclobutyl]propanamide
SMILESCC(C(N)=O)C1(C(C)(F)F)CCC1
InChIInChI=1S/C9H15F2NO/c1-6(7(12)13)9(4-3-5-9)8(2,10)11/h6H,3-5H2,1-2H3,(H2,12,13)
InChIKeyDLSDOGJJQWNTEP-UHFFFAOYSA-N
XLogP1.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(1,1-difluoroethyl)cyclobutyl]-2-methylpropan-1-one
CID 155710323
2-(1-aminocyclooctyl)propanamide
CID 138738816
cyclopentane;2-methylpropanamide
CID 142523492
carbamic acid;2,2-difluoro-3-methylbutane
CID 161455862
1-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclobutane
CID 126660417
(2R)-2-(difluoromethyl)-2,3-dimethylbutanamide
CID 140943328
3-amino-2-(1-hydroxycyclobutyl)butanamide
CID 91827576
1,1-difluorocyclobutane;methylurea;hydrochloride
CID 175158753
1-(2-fluoropropan-2-yl)cyclobutane-1-carboxylic acid
CID 83815694
1-(1,1-difluoroethyl)cyclopentane-1-carboxylic acid
CID 84767538
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propanamide
CID 105416404
(2S)-2-fluoropropanamide
CID 129374964

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,1-difluoroethyl)cyclobutyl]propanamide?
The IUPAC name of 2-[1-(1,1-difluoroethyl)cyclobutyl]propanamide (CID 142900456) is 2-[1-(1,1-difluoroethyl)cyclobutyl]propanamide.
What is the SMILES notation for 2-[1-(1,1-difluoroethyl)cyclobutyl]propanamide?
The canonical SMILES for 2-[1-(1,1-difluoroethyl)cyclobutyl]propanamide is CC(C(N)=O)C1(C(C)(F)F)CCC1.
What is the InChIKey of 2-[1-(1,1-difluoroethyl)cyclobutyl]propanamide?
The InChIKey is DLSDOGJJQWNTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-6(7(12)13)9(4-3-5-9)8(2,10)11/h6H,3-5H2,1-2H3,(H2,12,13).
What are the key properties of 2-[1-(1,1-difluoroethyl)cyclobutyl]propanamide?
2-[1-(1,1-difluoroethyl)cyclobutyl]propanamide has a molecular weight of 191.22 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,1-difluoroethyl)cyclobutyl]propanamide is sourced from PubChem (CID 142900456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).