N-[(3S,6R)-2-oxo-6-(trifluoromethyl)oxan-3-yl]benzamide

C13H12F3NO3 — CID 9102312

IUPACN-[(3S,6R)-2-oxo-6-(trifluoromethyl)oxan-3-yl]benzamide
SMILESO=C(N[C@H]1CC[C@H](C(F)(F)F)OC1=O)c1ccccc1
InChIInChI=1S/C13H12F3NO3/c14-13(15,16)10-7-6-9(12(19)20-10)17-11(18)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,17,18)/t9-,10+/m0/s1
InChIKeyAFBPJKXEUZWYTR-VHSXEESVSA-N
MW287.24 g/mol
LogP2.05
Rot. Bonds2

About N-[(3S,6R)-2-oxo-6-(trifluoromethyl)oxan-3-yl]benzamide

N-[(3S,6R)-2-oxo-6-(trifluoromethyl)oxan-3-yl]benzamide (PubChem CID 9102312) has the molecular formula C13H12F3NO3 and a molecular weight of 287.24 g/mol. Its IUPAC name is N-[(3S,6R)-2-oxo-6-(trifluoromethyl)oxan-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3S,6R)-2-oxo-6-(trifluoromethyl)oxan-3-yl]benzamide
PubChem CID9102312
Molecular FormulaC13H12F3NO3
Molecular Weight287.24 g/mol
Exact Mass287.08
IUPAC NameN-[(3S,6R)-2-oxo-6-(trifluoromethyl)oxan-3-yl]benzamide
SMILESO=C(N[C@H]1CC[C@H](C(F)(F)F)OC1=O)c1ccccc1
InChIInChI=1S/C13H12F3NO3/c14-13(15,16)10-7-6-9(12(19)20-10)17-11(18)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,17,18)/t9-,10+/m0/s1
InChIKeyAFBPJKXEUZWYTR-VHSXEESVSA-N
XLogP2.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 162437723
2-[(3R,6S)-3,6-dibenzamidocyclohexen-1-yl]-2-methylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-[(3S,6R)-2-oxo-6-(trifluoromethyl)oxan-3-yl]benzamide?
The IUPAC name of N-[(3S,6R)-2-oxo-6-(trifluoromethyl)oxan-3-yl]benzamide (CID 9102312) is N-[(3S,6R)-2-oxo-6-(trifluoromethyl)oxan-3-yl]benzamide.
What is the SMILES notation for N-[(3S,6R)-2-oxo-6-(trifluoromethyl)oxan-3-yl]benzamide?
The canonical SMILES for N-[(3S,6R)-2-oxo-6-(trifluoromethyl)oxan-3-yl]benzamide is O=C(N[C@H]1CC[C@H](C(F)(F)F)OC1=O)c1ccccc1.
What is the InChIKey of N-[(3S,6R)-2-oxo-6-(trifluoromethyl)oxan-3-yl]benzamide?
The InChIKey is AFBPJKXEUZWYTR-VHSXEESVSA-N. The full InChI is InChI=1S/C13H12F3NO3/c14-13(15,16)10-7-6-9(12(19)20-10)17-11(18)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,17,18)/t9-,10+/m0/s1.
What are the key properties of N-[(3S,6R)-2-oxo-6-(trifluoromethyl)oxan-3-yl]benzamide?
N-[(3S,6R)-2-oxo-6-(trifluoromethyl)oxan-3-yl]benzamide has a molecular weight of 287.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,6R)-2-oxo-6-(trifluoromethyl)oxan-3-yl]benzamide is sourced from PubChem (CID 9102312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).