6-methyl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide

C9H10F3NO — CID 162604335

IUPAC6-methyl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCC1CC(C(F)(F)F)=CC=C1C(N)=O
InChIInChI=1S/C9H10F3NO/c1-5-4-6(9(10,11)12)2-3-7(5)8(13)14/h2-3,5H,4H2,1H3,(H2,13,14)
InChIKeySGLNQRWYNVRGCZ-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.93
Rot. Bonds1

About 6-methyl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide

6-methyl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 162604335) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 6-methyl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name6-methyl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID162604335
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name6-methyl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCC1CC(C(F)(F)F)=CC=C1C(N)=O
InChIInChI=1S/C9H10F3NO/c1-5-4-6(9(10,11)12)2-3-7(5)8(13)14/h2-3,5H,4H2,1H3,(H2,13,14)
InChIKeySGLNQRWYNVRGCZ-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide
CID 168720282
Isobutyl-(e,e)-2,4-decadienamide
CID 155926334
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
5,6-Diethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 69636436
4-Cyclohexyl-3-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 89733554
4-Fluoro-3,6-dimethylcyclohexa-1,3-diene-1-carboxamide
CID 91584128
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
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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 6-methyl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide (CID 162604335) is 6-methyl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 6-methyl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 6-methyl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide is CC1CC(C(F)(F)F)=CC=C1C(N)=O.
What is the InChIKey of 6-methyl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is SGLNQRWYNVRGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-5-4-6(9(10,11)12)2-3-7(5)8(13)14/h2-3,5H,4H2,1H3,(H2,13,14).
What are the key properties of 6-methyl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
6-methyl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 205.18 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 162604335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).