2-cyano-N-[(1-fluorocyclobutyl)methyl]acetamide

C8H11FN2O — CID 130666101

IUPAC2-cyano-N-[(1-fluorocyclobutyl)methyl]acetamide
SMILESN#CCC(=O)NCC1(F)CCC1
InChIInChI=1S/C8H11FN2O/c9-8(3-1-4-8)6-11-7(12)2-5-10/h1-4,6H2,(H,11,12)
InChIKeyFPMVTXHKXISMOW-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.91
Rot. Bonds3

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

2-cyano-N-[(1-fluorocyclobutyl)methyl]acetamide (PubChem CID 130666101) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 2-cyano-N-[(1-fluorocyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(1-fluorocyclobutyl)methyl]acetamide
PubChem CID130666101
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name2-cyano-N-[(1-fluorocyclobutyl)methyl]acetamide
SMILESN#CCC(=O)NCC1(F)CCC1
InChIInChI=1S/C8H11FN2O/c9-8(3-1-4-8)6-11-7(12)2-5-10/h1-4,6H2,(H,11,12)
InChIKeyFPMVTXHKXISMOW-UHFFFAOYSA-N
XLogP0.91
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-[(1-methylcyclopropyl)methyl]acetamide
CID 104919970
N-[(1-fluorocyclohexyl)methyl]-2-hydroxyacetamide
CID 131019151
2,2-difluoro-N-[(1-fluorocyclobutyl)methyl]acetamide
CID 130666100
2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 104920672
N-[(1-fluorocyclobutyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 126991129
2-cyano-N-(1-cyanocyclopropyl)acetamide
CID 131036144
2-cyano-N-cyclopentylacetamide
CID 5093205
N-[3-[(2-cyanoacetyl)amino]propyl]cyclopentanecarboxamide
CID 108924397
2-cyano-N-[3-[(2-cyanoacetyl)amino]-2-hydroxypropyl]acetamide
CID 11550341
2-cyano-N-(2-cyclohexyloxyethyl)acetamide
CID 63828131
2-cyano-N-[3-[(2-cyclohexylacetyl)amino]propyl]acetamide
CID 108924398
N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]propanamide
CID 155183393

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1-fluorocyclobutyl)methyl]acetamide?
The IUPAC name of 2-cyano-N-[(1-fluorocyclobutyl)methyl]acetamide (CID 130666101) is 2-cyano-N-[(1-fluorocyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[(1-fluorocyclobutyl)methyl]acetamide?
The canonical SMILES for 2-cyano-N-[(1-fluorocyclobutyl)methyl]acetamide is N#CCC(=O)NCC1(F)CCC1.
What is the InChIKey of 2-cyano-N-[(1-fluorocyclobutyl)methyl]acetamide?
The InChIKey is FPMVTXHKXISMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c9-8(3-1-4-8)6-11-7(12)2-5-10/h1-4,6H2,(H,11,12).
What are the key properties of 2-cyano-N-[(1-fluorocyclobutyl)methyl]acetamide?
2-cyano-N-[(1-fluorocyclobutyl)methyl]acetamide has a molecular weight of 170.19 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(1-fluorocyclobutyl)methyl]acetamide is sourced from PubChem (CID 130666101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).