N-(2-methylphenyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C13H12F3NO3 — CID 10493502

IUPACN-(2-methylphenyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCc1ccccc1NC(=O)C1=C(C(F)(F)F)OCCO1
InChIInChI=1S/C13H12F3NO3/c1-8-4-2-3-5-9(8)17-12(18)10-11(13(14,15)16)20-7-6-19-10/h2-5H,6-7H2,1H3,(H,17,18)
InChIKeyRVJCOBSBBWXOMY-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.75
Rot. Bonds2

About N-(2-methylphenyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(2-methylphenyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 10493502) has the molecular formula C13H12F3NO3 and a molecular weight of 287.24 g/mol. Its IUPAC name is N-(2-methylphenyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID10493502
Molecular FormulaC13H12F3NO3
Molecular Weight287.24 g/mol
Exact Mass287.08
IUPAC NameN-(2-methylphenyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCc1ccccc1NC(=O)C1=C(C(F)(F)F)OCCO1
InChIInChI=1S/C13H12F3NO3/c1-8-4-2-3-5-9(8)17-12(18)10-11(13(14,15)16)20-7-6-19-10/h2-5H,6-7H2,1H3,(H,17,18)
InChIKeyRVJCOBSBBWXOMY-UHFFFAOYSA-N
XLogP2.75
TPSA47.56 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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2-methylphenyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 10493502) is N-(2-methylphenyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is Cc1ccccc1NC(=O)C1=C(C(F)(F)F)OCCO1.
What is the InChIKey of N-(2-methylphenyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is RVJCOBSBBWXOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3/c1-8-4-2-3-5-9(8)17-12(18)10-11(13(14,15)16)20-7-6-19-10/h2-5H,6-7H2,1H3,(H,17,18).
What are the key properties of N-(2-methylphenyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2-methylphenyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 287.24 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 10493502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).