2,2,2-trifluoro-N-(6-methylcyclohexa-2,4-dien-1-ylidene)acetamide

C9H8F3NO — CID 175713856

IUPAC2,2,2-trifluoro-N-(6-methylcyclohexa-2,4-dien-1-ylidene)acetamide
SMILESCC1C=CC=C/C1=N\C(=O)C(F)(F)F
InChIInChI=1S/C9H8F3NO/c1-6-4-2-3-5-7(6)13-8(14)9(10,11)12/h2-6H,1H3/b13-7+
InChIKeyYAVWXRFBTXSSIJ-NTUHNPAUSA-N
MW203.16 g/mol
LogP2.28
Rot. Bonds

About 2,2,2-trifluoro-N-(6-methylcyclohexa-2,4-dien-1-ylidene)acetamide

2,2,2-trifluoro-N-(6-methylcyclohexa-2,4-dien-1-ylidene)acetamide (PubChem CID 175713856) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(6-methylcyclohexa-2,4-dien-1-ylidene)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(6-methylcyclohexa-2,4-dien-1-ylidene)acetamide
PubChem CID175713856
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name2,2,2-trifluoro-N-(6-methylcyclohexa-2,4-dien-1-ylidene)acetamide
SMILESCC1C=CC=C/C1=N\C(=O)C(F)(F)F
InChIInChI=1S/C9H8F3NO/c1-6-4-2-3-5-7(6)13-8(14)9(10,11)12/h2-6H,1H3/b13-7+
InChIKeyYAVWXRFBTXSSIJ-NTUHNPAUSA-N
XLogP2.28
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(6-methylcyclohexa-2,4-dien-1-ylidene)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(6-methylcyclohexa-2,4-dien-1-ylidene)acetamide (CID 175713856) is 2,2,2-trifluoro-N-(6-methylcyclohexa-2,4-dien-1-ylidene)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(6-methylcyclohexa-2,4-dien-1-ylidene)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(6-methylcyclohexa-2,4-dien-1-ylidene)acetamide is CC1C=CC=C/C1=N\C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(6-methylcyclohexa-2,4-dien-1-ylidene)acetamide?
The InChIKey is YAVWXRFBTXSSIJ-NTUHNPAUSA-N. The full InChI is InChI=1S/C9H8F3NO/c1-6-4-2-3-5-7(6)13-8(14)9(10,11)12/h2-6H,1H3/b13-7+.
What are the key properties of 2,2,2-trifluoro-N-(6-methylcyclohexa-2,4-dien-1-ylidene)acetamide?
2,2,2-trifluoro-N-(6-methylcyclohexa-2,4-dien-1-ylidene)acetamide has a molecular weight of 203.16 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(6-methylcyclohexa-2,4-dien-1-ylidene)acetamide is sourced from PubChem (CID 175713856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).