5-methyl-1-(trifluoromethyl)-2-oxabicyclo[3.2.0]heptane-3-carboxamide

C9H12F3NO2 — CID 175998228

IUPAC5-methyl-1-(trifluoromethyl)-2-oxabicyclo[3.2.0]heptane-3-carboxamide
SMILESCC12CCC1(C(F)(F)F)OC(C(N)=O)C2
InChIInChI=1S/C9H12F3NO2/c1-7-2-3-8(7,9(10,11)12)15-5(4-7)6(13)14/h5H,2-4H2,1H3,(H2,13,14)
InChIKeyGEYIYILCAADZPY-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.36
Rot. Bonds1

About 5-methyl-1-(trifluoromethyl)-2-oxabicyclo[3.2.0]heptane-3-carboxamide

5-methyl-1-(trifluoromethyl)-2-oxabicyclo[3.2.0]heptane-3-carboxamide (PubChem CID 175998228) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is 5-methyl-1-(trifluoromethyl)-2-oxabicyclo[3.2.0]heptane-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(trifluoromethyl)-2-oxabicyclo[3.2.0]heptane-3-carboxamide
PubChem CID175998228
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Name5-methyl-1-(trifluoromethyl)-2-oxabicyclo[3.2.0]heptane-3-carboxamide
SMILESCC12CCC1(C(F)(F)F)OC(C(N)=O)C2
InChIInChI=1S/C9H12F3NO2/c1-7-2-3-8(7,9(10,11)12)15-5(4-7)6(13)14/h5H,2-4H2,1H3,(H2,13,14)
InChIKeyGEYIYILCAADZPY-UHFFFAOYSA-N
XLogP1.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-deuterio-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 175992393
(3S)-5,5-dimethylpyrrolidine-3-carboxamide
CID 129142107
2,3-bis(trifluoromethyl)oxirane-2-carboxamide
CID 89116575
(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide
CID 130765029
2-methyl-2-(trifluoromethyl)-1,3-dioxolane-4-carboxylic acid
CID 130020923
1-methyl-3-(3,3,3-trifluoroprop-1-ynyl)cyclobutane-1-carboxamide
CID 175983566
2,2-dimethyl-5-[1-(trifluoromethyl)cyclopropanecarbonyl]-1,3-dioxane-4,6-dione
CID 123723200
2,2,2-trifluoroethyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate
CID 65168543
3,3-dimethylcyclopentane-1-carboxamide
CID 58806265
cis-(1R,3R)-3-amino-1-(trifluoromethyl)cyclopentane-1-carboxylic acid
CID 124633428
cis-methyl (1S,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate
CID 11298222
2-[4,6-dihydroxy-2-methyl-2-(trifluoromethyl)oxan-4-yl]prop-2-enoic acid
CID 22348613

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(trifluoromethyl)-2-oxabicyclo[3.2.0]heptane-3-carboxamide?
The IUPAC name of 5-methyl-1-(trifluoromethyl)-2-oxabicyclo[3.2.0]heptane-3-carboxamide (CID 175998228) is 5-methyl-1-(trifluoromethyl)-2-oxabicyclo[3.2.0]heptane-3-carboxamide.
What is the SMILES notation for 5-methyl-1-(trifluoromethyl)-2-oxabicyclo[3.2.0]heptane-3-carboxamide?
The canonical SMILES for 5-methyl-1-(trifluoromethyl)-2-oxabicyclo[3.2.0]heptane-3-carboxamide is CC12CCC1(C(F)(F)F)OC(C(N)=O)C2.
What is the InChIKey of 5-methyl-1-(trifluoromethyl)-2-oxabicyclo[3.2.0]heptane-3-carboxamide?
The InChIKey is GEYIYILCAADZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c1-7-2-3-8(7,9(10,11)12)15-5(4-7)6(13)14/h5H,2-4H2,1H3,(H2,13,14).
What are the key properties of 5-methyl-1-(trifluoromethyl)-2-oxabicyclo[3.2.0]heptane-3-carboxamide?
5-methyl-1-(trifluoromethyl)-2-oxabicyclo[3.2.0]heptane-3-carboxamide has a molecular weight of 223.19 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(trifluoromethyl)-2-oxabicyclo[3.2.0]heptane-3-carboxamide is sourced from PubChem (CID 175998228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).