N-methyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide

C9H10F3NO — CID 154533267

IUPACN-methyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
SMILESCNC(=O)C1C=CC=C(C(F)(F)F)C1
InChIInChI=1S/C9H10F3NO/c1-13-8(14)6-3-2-4-7(5-6)9(10,11)12/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyDVXXTQCMTNAJRJ-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.80
Rot. Bonds1

About N-methyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide

N-methyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide (PubChem CID 154533267) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is N-methyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
PubChem CID154533267
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC NameN-methyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
SMILESCNC(=O)C1C=CC=C(C(F)(F)F)C1
InChIInChI=1S/C9H10F3NO/c1-13-8(14)6-3-2-4-7(5-6)9(10,11)12/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyDVXXTQCMTNAJRJ-UHFFFAOYSA-N
XLogP1.80
TPSA29.10 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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of N-methyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide (CID 154533267) is N-methyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for N-methyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for N-methyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide is CNC(=O)C1C=CC=C(C(F)(F)F)C1.
What is the InChIKey of N-methyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is DVXXTQCMTNAJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-13-8(14)6-3-2-4-7(5-6)9(10,11)12/h2-4,6H,5H2,1H3,(H,13,14).
What are the key properties of N-methyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide?
N-methyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 205.18 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 154533267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).