1-(2,2,2-trifluoroethyl)cyclohexa-3,5-diene-1,3-dicarboxamide

C10H11F3N2O2 — CID 175781339

IUPAC1-(2,2,2-trifluoroethyl)cyclohexa-3,5-diene-1,3-dicarboxamide
SMILESNC(=O)C1=CC=CC(CC(F)(F)F)(C(N)=O)C1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)5-9(8(15)17)3-1-2-6(4-9)7(14)16/h1-3H,4-5H2,(H2,14,16)(H2,15,17)
InChIKeyIOMTWFFVAPPGEB-UHFFFAOYSA-N
MW248.20 g/mol
LogP0.78
Rot. Bonds3

About 1-(2,2,2-trifluoroethyl)cyclohexa-3,5-diene-1,3-dicarboxamide

1-(2,2,2-trifluoroethyl)cyclohexa-3,5-diene-1,3-dicarboxamide (PubChem CID 175781339) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)cyclohexa-3,5-diene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)cyclohexa-3,5-diene-1,3-dicarboxamide
PubChem CID175781339
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name1-(2,2,2-trifluoroethyl)cyclohexa-3,5-diene-1,3-dicarboxamide
SMILESNC(=O)C1=CC=CC(CC(F)(F)F)(C(N)=O)C1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)5-9(8(15)17)3-1-2-6(4-9)7(14)16/h1-3H,4-5H2,(H2,14,16)(H2,15,17)
InChIKeyIOMTWFFVAPPGEB-UHFFFAOYSA-N
XLogP0.78
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)cyclohexa-3,5-diene-1,3-dicarboxamide?
The IUPAC name of 1-(2,2,2-trifluoroethyl)cyclohexa-3,5-diene-1,3-dicarboxamide (CID 175781339) is 1-(2,2,2-trifluoroethyl)cyclohexa-3,5-diene-1,3-dicarboxamide.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)cyclohexa-3,5-diene-1,3-dicarboxamide?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)cyclohexa-3,5-diene-1,3-dicarboxamide is NC(=O)C1=CC=CC(CC(F)(F)F)(C(N)=O)C1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)cyclohexa-3,5-diene-1,3-dicarboxamide?
The InChIKey is IOMTWFFVAPPGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)5-9(8(15)17)3-1-2-6(4-9)7(14)16/h1-3H,4-5H2,(H2,14,16)(H2,15,17).
What are the key properties of 1-(2,2,2-trifluoroethyl)cyclohexa-3,5-diene-1,3-dicarboxamide?
1-(2,2,2-trifluoroethyl)cyclohexa-3,5-diene-1,3-dicarboxamide has a molecular weight of 248.20 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)cyclohexa-3,5-diene-1,3-dicarboxamide is sourced from PubChem (CID 175781339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).