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

C11H14F3NO — CID 71123079

IUPACN-[[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]acetamide
SMILESCC(=O)NCC1(C)CC=CC=C1C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-8(16)15-7-10(2)6-4-3-5-9(10)11(12,13)14/h3-5H,6-7H2,1-2H3,(H,15,16)
InChIKeyDZASUHHZPUYRBX-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.58
Rot. Bonds2

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

N-[[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]acetamide (PubChem CID 71123079) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is N-[[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]acetamide
PubChem CID71123079
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC NameN-[[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]acetamide
SMILESCC(=O)NCC1(C)CC=CC=C1C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-8(16)15-7-10(2)6-4-3-5-9(10)11(12,13)14/h3-5H,6-7H2,1-2H3,(H,15,16)
InChIKeyDZASUHHZPUYRBX-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]acetamide?
The IUPAC name of N-[[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]acetamide (CID 71123079) is N-[[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]acetamide?
The canonical SMILES for N-[[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]acetamide is CC(=O)NCC1(C)CC=CC=C1C(F)(F)F.
What is the InChIKey of N-[[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]acetamide?
The InChIKey is DZASUHHZPUYRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-8(16)15-7-10(2)6-4-3-5-9(10)11(12,13)14/h3-5H,6-7H2,1-2H3,(H,15,16).
What are the key properties of N-[[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]acetamide?
N-[[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]acetamide has a molecular weight of 233.23 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]acetamide is sourced from PubChem (CID 71123079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).