6-methyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide

C9H10F3NO — CID 66970898

IUPAC6-methyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
SMILESCC1(C(F)(F)F)C=CC=CC1C(N)=O
InChIInChI=1S/C9H10F3NO/c1-8(9(10,11)12)5-3-2-4-6(8)7(13)14/h2-6H,1H3,(H2,13,14)
InChIKeyKQOOPLRAMIAOIP-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.78
Rot. Bonds1

About 6-methyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide

6-methyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide (PubChem CID 66970898) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 6-methyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-methyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
PubChem CID66970898
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name6-methyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
SMILESCC1(C(F)(F)F)C=CC=CC1C(N)=O
InChIInChI=1S/C9H10F3NO/c1-8(9(10,11)12)5-3-2-4-6(8)7(13)14/h2-6H,1H3,(H2,13,14)
InChIKeyKQOOPLRAMIAOIP-UHFFFAOYSA-N
XLogP1.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-methyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide (CID 66970898) is 6-methyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-methyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-methyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide is CC1(C(F)(F)F)C=CC=CC1C(N)=O.
What is the InChIKey of 6-methyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is KQOOPLRAMIAOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-8(9(10,11)12)5-3-2-4-6(8)7(13)14/h2-6H,1H3,(H2,13,14).
What are the key properties of 6-methyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide?
6-methyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 205.18 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 66970898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).