5,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide

C10H12F3NO — CID 118163859

IUPAC5,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCC1C(C(N)=O)=CC=CC1(C)C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-6-7(8(14)15)4-3-5-9(6,2)10(11,12)13/h3-6H,1-2H3,(H2,14,15)
InChIKeyYCFJJSUJLPZUDJ-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.17
Rot. Bonds1

About 5,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide

5,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 118163859) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 5,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID118163859
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name5,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCC1C(C(N)=O)=CC=CC1(C)C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-6-7(8(14)15)4-3-5-9(6,2)10(11,12)13/h3-6H,1-2H3,(H2,14,15)
InChIKeyYCFJJSUJLPZUDJ-UHFFFAOYSA-N
XLogP2.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-Fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 59865792
1-(1,1,1-Trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide
CID 67216695
5,6-Diethyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide
CID 69287101
6-Ethyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
CID 69543217
5,6-Diethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 69636436
6-Cyclohexyl-5-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 69938220
4-Fluoro-3,6-dimethylcyclohexa-1,3-diene-1-carboxamide
CID 91584128
4-(3,3,3-Trifluoropropyl)cyclohexa-1,5-diene-1,4-dicarboxamide
CID 118271432
6-Tert-butyl-6-fluorocyclohexa-2,4-diene-1-carboxamide
CID 122604237
1-(1,1,1-Trifluoro-2-methylpropan-2-yl)cyclohexa-2,4-diene-1-carboxamide
CID 122604384
3-Fluoro-6-propan-2-ylcyclohexa-1,3-diene-1-carboxamide
CID 126727974
3,4-Difluoro-6-methylcyclohexa-1,3-diene-1-carboxamide
CID 129145005

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 5,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide (CID 118163859) is 5,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 5,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 5,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide is CC1C(C(N)=O)=CC=CC1(C)C(F)(F)F.
What is the InChIKey of 5,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is YCFJJSUJLPZUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-6-7(8(14)15)4-3-5-9(6,2)10(11,12)13/h3-6H,1-2H3,(H2,14,15).
What are the key properties of 5,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
5,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 219.21 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 118163859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).