2-fluoro-N-[(1-fluorocyclobutyl)methyl]-2-methylpropanamide

C9H15F2NO — CID 130612783

IUPAC2-fluoro-N-[(1-fluorocyclobutyl)methyl]-2-methylpropanamide
SMILESCC(C)(F)C(=O)NCC1(F)CCC1
InChIInChI=1S/C9H15F2NO/c1-8(2,10)7(13)12-6-9(11)4-3-5-9/h3-6H2,1-2H3,(H,12,13)
InChIKeyJDNPAFFJHHTKKX-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.74
Rot. Bonds3

About 2-fluoro-N-[(1-fluorocyclobutyl)methyl]-2-methylpropanamide

2-fluoro-N-[(1-fluorocyclobutyl)methyl]-2-methylpropanamide (PubChem CID 130612783) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 2-fluoro-N-[(1-fluorocyclobutyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-fluoro-N-[(1-fluorocyclobutyl)methyl]-2-methylpropanamide
PubChem CID130612783
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name2-fluoro-N-[(1-fluorocyclobutyl)methyl]-2-methylpropanamide
SMILESCC(C)(F)C(=O)NCC1(F)CCC1
InChIInChI=1S/C9H15F2NO/c1-8(2,10)7(13)12-6-9(11)4-3-5-9/h3-6H2,1-2H3,(H,12,13)
InChIKeyJDNPAFFJHHTKKX-UHFFFAOYSA-N
XLogP1.74
TPSA29.10 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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1-fluorocyclobutyl)methyl]-2-methylpropanamide?
The IUPAC name of 2-fluoro-N-[(1-fluorocyclobutyl)methyl]-2-methylpropanamide (CID 130612783) is 2-fluoro-N-[(1-fluorocyclobutyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-fluoro-N-[(1-fluorocyclobutyl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-fluoro-N-[(1-fluorocyclobutyl)methyl]-2-methylpropanamide is CC(C)(F)C(=O)NCC1(F)CCC1.
What is the InChIKey of 2-fluoro-N-[(1-fluorocyclobutyl)methyl]-2-methylpropanamide?
The InChIKey is JDNPAFFJHHTKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-8(2,10)7(13)12-6-9(11)4-3-5-9/h3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-fluoro-N-[(1-fluorocyclobutyl)methyl]-2-methylpropanamide?
2-fluoro-N-[(1-fluorocyclobutyl)methyl]-2-methylpropanamide has a molecular weight of 191.22 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1-fluorocyclobutyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 130612783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).