3-(difluoromethyl)-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide

C9H8F5NO — CID 163672094

IUPAC3-(difluoromethyl)-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
SMILESNC(=O)C1=CC(C(F)F)=CC(C(F)(F)F)C1
InChIInChI=1S/C9H8F5NO/c10-7(11)4-1-5(8(15)16)3-6(2-4)9(12,13)14/h1-2,6-7H,3H2,(H2,15,16)
InChIKeyJDKYBIDMOFMNFB-UHFFFAOYSA-N
MW241.16 g/mol
LogP2.17
Rot. Bonds2

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

3-(difluoromethyl)-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 163672094) has the molecular formula C9H8F5NO and a molecular weight of 241.16 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID163672094
Molecular FormulaC9H8F5NO
Molecular Weight241.16 g/mol
Exact Mass241.05
IUPAC Name3-(difluoromethyl)-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
SMILESNC(=O)C1=CC(C(F)F)=CC(C(F)(F)F)C1
InChIInChI=1S/C9H8F5NO/c10-7(11)4-1-5(8(15)16)3-6(2-4)9(12,13)14/h1-2,6-7H,3H2,(H2,15,16)
InChIKeyJDKYBIDMOFMNFB-UHFFFAOYSA-N
XLogP2.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(difluoromethyl)-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 59865792
5,6-Diethyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide
CID 69287101
3-(Trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide
CID 89629563
4-Fluoro-3,6-dimethylcyclohexa-1,3-diene-1-carboxamide
CID 91584128
(E)-3-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]prop-2-enamide
CID 117897603
5,6-Dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 118163859
4-(3,3,3-Trifluoropropyl)cyclohexa-1,5-diene-1,4-dicarboxamide
CID 118271432
3-Fluoro-6-propan-2-ylcyclohexa-1,3-diene-1-carboxamide
CID 126727974
6-Fluorocyclohexa-1,3-diene-1-carboxamide
CID 129132598
3,4-Difluoro-6-methylcyclohexa-1,3-diene-1-carboxamide
CID 129145005
6-Ethyl-4-fluoro-5-methylcyclohexa-1,3-diene-1-carboxamide
CID 130384223
5-Ethyl-4-fluoro-6-methylcyclohexa-1,3-diene-1-carboxamide
CID 130384225

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 3-(difluoromethyl)-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide (CID 163672094) is 3-(difluoromethyl)-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide is NC(=O)C1=CC(C(F)F)=CC(C(F)(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is JDKYBIDMOFMNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO/c10-7(11)4-1-5(8(15)16)3-6(2-4)9(12,13)14/h1-2,6-7H,3H2,(H2,15,16).
What are the key properties of 3-(difluoromethyl)-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
3-(difluoromethyl)-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 241.16 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 163672094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).