2,2,2-trifluoro-N-[(1-methylcyclobutyl)methyl]acetamide

C8H12F3NO — CID 103737378

IUPAC2,2,2-trifluoro-N-[(1-methylcyclobutyl)methyl]acetamide
SMILESCC1(CNC(=O)C(F)(F)F)CCC1
InChIInChI=1S/C8H12F3NO/c1-7(3-2-4-7)5-12-6(13)8(9,10)11/h2-5H2,1H3,(H,12,13)
InChIKeyQKCZMKBQMAKWKA-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.86
Rot. Bonds2

About 2,2,2-trifluoro-N-[(1-methylcyclobutyl)methyl]acetamide

2,2,2-trifluoro-N-[(1-methylcyclobutyl)methyl]acetamide (PubChem CID 103737378) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1-methylcyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1-methylcyclobutyl)methyl]acetamide
PubChem CID103737378
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name2,2,2-trifluoro-N-[(1-methylcyclobutyl)methyl]acetamide
SMILESCC1(CNC(=O)C(F)(F)F)CCC1
InChIInChI=1S/C8H12F3NO/c1-7(3-2-4-7)5-12-6(13)8(9,10)11/h2-5H2,1H3,(H,12,13)
InChIKeyQKCZMKBQMAKWKA-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1-methylcyclobutyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1-methylcyclobutyl)methyl]acetamide (CID 103737378) is 2,2,2-trifluoro-N-[(1-methylcyclobutyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1-methylcyclobutyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1-methylcyclobutyl)methyl]acetamide is CC1(CNC(=O)C(F)(F)F)CCC1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1-methylcyclobutyl)methyl]acetamide?
The InChIKey is QKCZMKBQMAKWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-7(3-2-4-7)5-12-6(13)8(9,10)11/h2-5H2,1H3,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-[(1-methylcyclobutyl)methyl]acetamide?
2,2,2-trifluoro-N-[(1-methylcyclobutyl)methyl]acetamide has a molecular weight of 195.18 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1-methylcyclobutyl)methyl]acetamide is sourced from PubChem (CID 103737378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).