4-(trifluoromethyl)-2-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-diene-1,4-dicarboxamide

C16H14F6N2O2 — CID 142707758

IUPAC4-(trifluoromethyl)-2-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-diene-1,4-dicarboxamide
SMILESNC(=O)C1=C(C2(C(F)(F)F)C=CC=CC2)CC(C(N)=O)(C(F)(F)F)C=C1
InChIInChI=1S/C16H14F6N2O2/c17-15(18,19)13(5-2-1-3-6-13)10-8-14(12(24)26,16(20,21)22)7-4-9(10)11(23)25/h1-5,7H,6,8H2,(H2,23,25)(H2,24,26)
InChIKeyAIRCUJXILADCBT-UHFFFAOYSA-N
MW380.29 g/mol
LogP2.83
Rot. Bonds3

About 4-(trifluoromethyl)-2-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-diene-1,4-dicarboxamide

4-(trifluoromethyl)-2-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-diene-1,4-dicarboxamide (PubChem CID 142707758) has the molecular formula C16H14F6N2O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-diene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-(trifluoromethyl)-2-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-diene-1,4-dicarboxamide
PubChem CID142707758
Molecular FormulaC16H14F6N2O2
Molecular Weight380.29 g/mol
Exact Mass380.10
IUPAC Name4-(trifluoromethyl)-2-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-diene-1,4-dicarboxamide
SMILESNC(=O)C1=C(C2(C(F)(F)F)C=CC=CC2)CC(C(N)=O)(C(F)(F)F)C=C1
InChIInChI=1S/C16H14F6N2O2/c17-15(18,19)13(5-2-1-3-6-13)10-8-14(12(24)26,16(20,21)22)7-4-9(10)11(23)25/h1-5,7H,6,8H2,(H2,23,25)(H2,24,26)
InChIKeyAIRCUJXILADCBT-UHFFFAOYSA-N
XLogP2.83
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-diene-1,4-dicarboxamide?
The IUPAC name of 4-(trifluoromethyl)-2-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-diene-1,4-dicarboxamide (CID 142707758) is 4-(trifluoromethyl)-2-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-diene-1,4-dicarboxamide.
What is the SMILES notation for 4-(trifluoromethyl)-2-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-diene-1,4-dicarboxamide?
The canonical SMILES for 4-(trifluoromethyl)-2-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-diene-1,4-dicarboxamide is NC(=O)C1=C(C2(C(F)(F)F)C=CC=CC2)CC(C(N)=O)(C(F)(F)F)C=C1.
What is the InChIKey of 4-(trifluoromethyl)-2-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-diene-1,4-dicarboxamide?
The InChIKey is AIRCUJXILADCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F6N2O2/c17-15(18,19)13(5-2-1-3-6-13)10-8-14(12(24)26,16(20,21)22)7-4-9(10)11(23)25/h1-5,7H,6,8H2,(H2,23,25)(H2,24,26).
What are the key properties of 4-(trifluoromethyl)-2-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-diene-1,4-dicarboxamide?
4-(trifluoromethyl)-2-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-diene-1,4-dicarboxamide has a molecular weight of 380.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-diene-1,4-dicarboxamide is sourced from PubChem (CID 142707758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).