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

C10H12F3NO — CID 164906040

IUPACN,N-dimethyl-6-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide
SMILESCN(C)C(=O)C1=CCCC=C1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-14(2)9(15)7-5-3-4-6-8(7)10(11,12)13/h5-6H,3-4H2,1-2H3
InChIKeyXIIQCUFRRPZGEC-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.28
Rot. Bonds1

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

N,N-dimethyl-6-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 164906040) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is N,N-dimethyl-6-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide
PubChem CID164906040
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC NameN,N-dimethyl-6-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide
SMILESCN(C)C(=O)C1=CCCC=C1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-14(2)9(15)7-5-3-4-6-8(7)10(11,12)13/h5-6H,3-4H2,1-2H3
InChIKeyXIIQCUFRRPZGEC-UHFFFAOYSA-N
XLogP2.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N,N-dimethyl-6-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide (CID 164906040) is N,N-dimethyl-6-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N,N-dimethyl-6-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide is CN(C)C(=O)C1=CCCC=C1C(F)(F)F.
What is the InChIKey of N,N-dimethyl-6-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is XIIQCUFRRPZGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-14(2)9(15)7-5-3-4-6-8(7)10(11,12)13/h5-6H,3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-6-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide?
N,N-dimethyl-6-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 219.21 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 164906040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).