N-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide

C10H10F3NO — CID 54172936

IUPACN-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide
SMILESCC(NC(=O)C(F)(F)F)=C1C=CC=CC1
InChIInChI=1S/C10H10F3NO/c1-7(8-5-3-2-4-6-8)14-9(15)10(11,12)13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyOWHCXDBIXJCGRN-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.45
Rot. Bonds1

About N-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide

N-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide (PubChem CID 54172936) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is N-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide
PubChem CID54172936
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC NameN-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide
SMILESCC(NC(=O)C(F)(F)F)=C1C=CC=CC1
InChIInChI=1S/C10H10F3NO/c1-7(8-5-3-2-4-6-8)14-9(15)10(11,12)13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyOWHCXDBIXJCGRN-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide (CID 54172936) is N-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide is CC(NC(=O)C(F)(F)F)=C1C=CC=CC1.
What is the InChIKey of N-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide?
The InChIKey is OWHCXDBIXJCGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-7(8-5-3-2-4-6-8)14-9(15)10(11,12)13/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of N-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide?
N-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide has a molecular weight of 217.19 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 54172936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).