N-[(3,3-difluorocyclobutyl)methyl]propanamide

C8H13F2NO — CID 127004881

IUPACN-[(3,3-difluorocyclobutyl)methyl]propanamide
SMILESCCC(=O)NCC1CC(F)(F)C1
InChIInChI=1S/C8H13F2NO/c1-2-7(12)11-5-6-3-8(9,10)4-6/h6H,2-5H2,1H3,(H,11,12)
InChIKeyVAOMFJGCQCNJIM-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.56
Rot. Bonds3

About N-[(3,3-difluorocyclobutyl)methyl]propanamide

N-[(3,3-difluorocyclobutyl)methyl]propanamide (PubChem CID 127004881) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]propanamide
PubChem CID127004881
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]propanamide
SMILESCCC(=O)NCC1CC(F)(F)C1
InChIInChI=1S/C8H13F2NO/c1-2-7(12)11-5-6-3-8(9,10)4-6/h6H,2-5H2,1H3,(H,11,12)
InChIKeyVAOMFJGCQCNJIM-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]propanamide?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]propanamide (CID 127004881) is N-[(3,3-difluorocyclobutyl)methyl]propanamide.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]propanamide?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]propanamide is CCC(=O)NCC1CC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]propanamide?
The InChIKey is VAOMFJGCQCNJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-2-7(12)11-5-6-3-8(9,10)4-6/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]propanamide?
N-[(3,3-difluorocyclobutyl)methyl]propanamide has a molecular weight of 177.19 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclobutyl)methyl]propanamide is sourced from PubChem (CID 127004881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).