N-[4-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide

C10H12F3NO — CID 135220345

IUPACN-[4-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
SMILESCC(=O)NC1C=CC(C)=C(C(F)(F)F)C1
InChIInChI=1S/C10H12F3NO/c1-6-3-4-8(14-7(2)15)5-9(6)10(11,12)13/h3-4,8H,5H2,1-2H3,(H,14,15)
InChIKeyXJJBGSOYSMYUOK-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.33
Rot. Bonds1

About N-[4-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide

N-[4-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide (PubChem CID 135220345) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is N-[4-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
PubChem CID135220345
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC NameN-[4-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
SMILESCC(=O)NC1C=CC(C)=C(C(F)(F)F)C1
InChIInChI=1S/C10H12F3NO/c1-6-3-4-8(14-7(2)15)5-9(6)10(11,12)13/h3-4,8H,5H2,1-2H3,(H,14,15)
InChIKeyXJJBGSOYSMYUOK-UHFFFAOYSA-N
XLogP2.33
TPSA29.10 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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide?
The IUPAC name of N-[4-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide (CID 135220345) is N-[4-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide is CC(=O)NC1C=CC(C)=C(C(F)(F)F)C1.
What is the InChIKey of N-[4-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide?
The InChIKey is XJJBGSOYSMYUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-6-3-4-8(14-7(2)15)5-9(6)10(11,12)13/h3-4,8H,5H2,1-2H3,(H,14,15).
What are the key properties of N-[4-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide?
N-[4-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide has a molecular weight of 219.21 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide is sourced from PubChem (CID 135220345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).