N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

C15H16F3NO2 — CID 91762532

IUPACN-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1C[C@@H]2OCC[C@H]12
InChIInChI=1S/C15H16F3NO2/c16-15(17,18)10-3-1-2-9(6-10)7-14(20)19-12-8-13-11(12)4-5-21-13/h1-3,6,11-13H,4-5,7-8H2,(H,19,20)/t11-,12+,13+/m1/s1
InChIKeySNBIBBGEZYWDHX-AGIUHOORSA-N
MW299.29 g/mol
LogP2.54
Rot. Bonds3

About N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 91762532) has the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID91762532
Molecular FormulaC15H16F3NO2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC NameN-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1C[C@@H]2OCC[C@H]12
InChIInChI=1S/C15H16F3NO2/c16-15(17,18)10-3-1-2-9(6-10)7-14(20)19-12-8-13-11(12)4-5-21-13/h1-3,6,11-13H,4-5,7-8H2,(H,19,20)/t11-,12+,13+/m1/s1
InChIKeySNBIBBGEZYWDHX-AGIUHOORSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 91762532) is N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1C[C@@H]2OCC[C@H]12.
What is the InChIKey of N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SNBIBBGEZYWDHX-AGIUHOORSA-N. The full InChI is InChI=1S/C15H16F3NO2/c16-15(17,18)10-3-1-2-9(6-10)7-14(20)19-12-8-13-11(12)4-5-21-13/h1-3,6,11-13H,4-5,7-8H2,(H,19,20)/t11-,12+,13+/m1/s1.
What are the key properties of N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 299.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 91762532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).