N-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide

C10H12F3NO — CID 126661691

IUPACN-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide
SMILESCC(=O)NC1=CC(C(F)(F)F)=CCC1C
InChIInChI=1S/C10H12F3NO/c1-6-3-4-8(10(11,12)13)5-9(6)14-7(2)15/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyQRPHNAXZOCUGQH-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.53
Rot. Bonds1

About N-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide

N-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide (PubChem CID 126661691) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is N-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide.

Molecular Properties

Compound NameN-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide
PubChem CID126661691
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC NameN-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide
SMILESCC(=O)NC1=CC(C(F)(F)F)=CCC1C
InChIInChI=1S/C10H12F3NO/c1-6-3-4-8(10(11,12)13)5-9(6)14-7(2)15/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyQRPHNAXZOCUGQH-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15210459
N-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide
CID 54172936
6-amino-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one
CID 70023407
N-(6,7-dihydro-3H-inden-4-yl)-2,2,2-trifluoroacetamide
CID 88688295
6-cyclopropyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516161
6-propan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106517869
5-fluoro-6-methylidene-3-propan-2-yl-3H-pyridin-2-one
CID 118446180
4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one
CID 121440112
3-(difluoromethyl)-5,6-diethyl-1H-pyridin-2-one
CID 123654562
N-(6-fluoro-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)acetamide
CID 123819181
2,2-dimethyl-N-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]propanamide
CID 123950583
N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide
CID 126663639

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide?
The IUPAC name of N-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide (CID 126661691) is N-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide.
What is the SMILES notation for N-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide?
The canonical SMILES for N-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide is CC(=O)NC1=CC(C(F)(F)F)=CCC1C.
What is the InChIKey of N-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide?
The InChIKey is QRPHNAXZOCUGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-6-3-4-8(10(11,12)13)5-9(6)14-7(2)15/h4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of N-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide?
N-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide has a molecular weight of 219.21 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide is sourced from PubChem (CID 126661691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).