2,2-difluoro-N-[(1-fluorocyclobutyl)methyl]acetamide

C7H10F3NO — CID 130666100

IUPAC2,2-difluoro-N-[(1-fluorocyclobutyl)methyl]acetamide
SMILESO=C(NCC1(F)CCC1)C(F)F
InChIInChI=1S/C7H10F3NO/c8-5(9)6(12)11-4-7(10)2-1-3-7/h5H,1-4H2,(H,11,12)
InChIKeyYPTLUKBBNQUFFS-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.26
Rot. Bonds3

About 2,2-difluoro-N-[(1-fluorocyclobutyl)methyl]acetamide

2,2-difluoro-N-[(1-fluorocyclobutyl)methyl]acetamide (PubChem CID 130666100) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 2,2-difluoro-N-[(1-fluorocyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(1-fluorocyclobutyl)methyl]acetamide
PubChem CID130666100
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name2,2-difluoro-N-[(1-fluorocyclobutyl)methyl]acetamide
SMILESO=C(NCC1(F)CCC1)C(F)F
InChIInChI=1S/C7H10F3NO/c8-5(9)6(12)11-4-7(10)2-1-3-7/h5H,1-4H2,(H,11,12)
InChIKeyYPTLUKBBNQUFFS-UHFFFAOYSA-N
XLogP1.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1-aminocyclopentyl)methyl]-2,2-difluoroacetamide
CID 164661336
2,2-difluoro-N-[(1-methylcyclopentyl)methyl]acetamide
CID 103515473
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide
CID 103516127
2,2-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 103513976
2-cyano-N-[(1-fluorocyclobutyl)methyl]acetamide
CID 130666101
N-[(1-fluorocyclohexyl)methyl]-2-hydroxyacetamide
CID 131019151
N-[(1-fluorocyclobutyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 126991129
2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 103513938
2-(1-fluorocyclobutyl)ethylurea
CID 130694117
(2S)-2-amino-N-[(1-aminocyclobutyl)methyl]propanamide
CID 130736337
ethane;N-[(3-fluoropyrrolidin-3-yl)methyl]-2-methylpropanamide
CID 153399046
4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499360

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(1-fluorocyclobutyl)methyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[(1-fluorocyclobutyl)methyl]acetamide (CID 130666100) is 2,2-difluoro-N-[(1-fluorocyclobutyl)methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[(1-fluorocyclobutyl)methyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[(1-fluorocyclobutyl)methyl]acetamide is O=C(NCC1(F)CCC1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[(1-fluorocyclobutyl)methyl]acetamide?
The InChIKey is YPTLUKBBNQUFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-5(9)6(12)11-4-7(10)2-1-3-7/h5H,1-4H2,(H,11,12).
What are the key properties of 2,2-difluoro-N-[(1-fluorocyclobutyl)methyl]acetamide?
2,2-difluoro-N-[(1-fluorocyclobutyl)methyl]acetamide has a molecular weight of 181.16 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(1-fluorocyclobutyl)methyl]acetamide is sourced from PubChem (CID 130666100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).