N-[4-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]acetamide

C11H11F6NO — CID 162609196

IUPACN-[4-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]acetamide
SMILESCC(=O)NC1=CC(C(F)(F)F)C(C)C(C(F)(F)F)=C1
InChIInChI=1S/C11H11F6NO/c1-5-8(10(12,13)14)3-7(18-6(2)19)4-9(5)11(15,16)17/h3-5,8H,1-2H3,(H,18,19)
InChIKeyQRFGDZWWQBGBLX-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.32
Rot. Bonds1

About N-[4-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]acetamide

N-[4-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]acetamide (PubChem CID 162609196) has the molecular formula C11H11F6NO and a molecular weight of 287.20 g/mol. Its IUPAC name is N-[4-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]acetamide
PubChem CID162609196
Molecular FormulaC11H11F6NO
Molecular Weight287.20 g/mol
Exact Mass287.07
IUPAC NameN-[4-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]acetamide
SMILESCC(=O)NC1=CC(C(F)(F)F)C(C)C(C(F)(F)F)=C1
InChIInChI=1S/C11H11F6NO/c1-5-8(10(12,13)14)3-7(18-6(2)19)4-9(5)11(15,16)17/h3-5,8H,1-2H3,(H,18,19)
InChIKeyQRFGDZWWQBGBLX-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-fluoro-1,2,5-tris(fluoromethyl)-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
CID 88315790
4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one
CID 121440112
N-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide
CID 126661691
6-(4,4-difluoro-2-methylpentyl)-4-methyl-1H-pyridin-2-one
CID 167217650
N-(6,7-dimethyl-2-bicyclo[4.1.0]hepta-1,3-dienyl)-2,2,2-trifluoroacetamide
CID 167241960
ethane;3-fluoro-6-methyl-4-propan-2-yl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 172287772
3-fluoro-6-methyl-4-propan-2-yl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 172287773
N-[3,5-difluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]acetamide
CID 173596333
N-[(6S)-6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide
CID 174005730
N-[6-chloro-4-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-yl]acetamide
CID 176929617
N-[6-chloro-4-(2-fluoropropan-2-yl)cyclohexa-1,5-dien-1-yl]acetamide
CID 176929772
3-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one
CID 177039417

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]acetamide?
The IUPAC name of N-[4-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]acetamide (CID 162609196) is N-[4-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]acetamide.
What is the SMILES notation for N-[4-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]acetamide?
The canonical SMILES for N-[4-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]acetamide is CC(=O)NC1=CC(C(F)(F)F)C(C)C(C(F)(F)F)=C1.
What is the InChIKey of N-[4-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]acetamide?
The InChIKey is QRFGDZWWQBGBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6NO/c1-5-8(10(12,13)14)3-7(18-6(2)19)4-9(5)11(15,16)17/h3-5,8H,1-2H3,(H,18,19).
What are the key properties of N-[4-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]acetamide?
N-[4-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]acetamide has a molecular weight of 287.20 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]acetamide is sourced from PubChem (CID 162609196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).