N-[2-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)phenyl]acetamide

C14H16F3NO3 — CID 650113

IUPACN-[2-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)ccc1OCC1CCCO1
InChIInChI=1S/C14H16F3NO3/c1-9(19)18-12-7-10(14(15,16)17)4-5-13(12)21-8-11-3-2-6-20-11/h4-5,7,11H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyCUOILHXFUIJEFJ-UHFFFAOYSA-N
MW303.28 g/mol
LogP3.22
Rot. Bonds4

About N-[2-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)phenyl]acetamide

N-[2-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 650113) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is N-[2-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID650113
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC NameN-[2-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)ccc1OCC1CCCO1
InChIInChI=1S/C14H16F3NO3/c1-9(19)18-12-7-10(14(15,16)17)4-5-13(12)21-8-11-3-2-6-20-11/h4-5,7,11H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyCUOILHXFUIJEFJ-UHFFFAOYSA-N
XLogP3.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)phenyl]acetamide (CID 650113) is N-[2-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1cc(C(F)(F)F)ccc1OCC1CCCO1.
What is the InChIKey of N-[2-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CUOILHXFUIJEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-9(19)18-12-7-10(14(15,16)17)4-5-13(12)21-8-11-3-2-6-20-11/h4-5,7,11H,2-3,6,8H2,1H3,(H,18,19).
What are the key properties of N-[2-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)phenyl]acetamide?
N-[2-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 303.28 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 650113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).