N-(3-acetyl-4-fluorocyclohexa-1,5-dien-1-yl)acetamide

C10H12FNO2 — CID 89107117

IUPACN-(3-acetyl-4-fluorocyclohexa-1,5-dien-1-yl)acetamide
SMILESCC(=O)NC1=CC(C(C)=O)C(F)C=C1
InChIInChI=1S/C10H12FNO2/c1-6(13)9-5-8(12-7(2)14)3-4-10(9)11/h3-5,9-10H,1-2H3,(H,12,14)
InChIKeyQWIXZEMEADGERW-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.12
Rot. Bonds2

About N-(3-acetyl-4-fluorocyclohexa-1,5-dien-1-yl)acetamide

N-(3-acetyl-4-fluorocyclohexa-1,5-dien-1-yl)acetamide (PubChem CID 89107117) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is N-(3-acetyl-4-fluorocyclohexa-1,5-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetyl-4-fluorocyclohexa-1,5-dien-1-yl)acetamide
PubChem CID89107117
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC NameN-(3-acetyl-4-fluorocyclohexa-1,5-dien-1-yl)acetamide
SMILESCC(=O)NC1=CC(C(C)=O)C(F)C=C1
InChIInChI=1S/C10H12FNO2/c1-6(13)9-5-8(12-7(2)14)3-4-10(9)11/h3-5,9-10H,1-2H3,(H,12,14)
InChIKeyQWIXZEMEADGERW-UHFFFAOYSA-N
XLogP1.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-4-fluorocyclohexa-1,5-dien-1-yl)acetamide?
The IUPAC name of N-(3-acetyl-4-fluorocyclohexa-1,5-dien-1-yl)acetamide (CID 89107117) is N-(3-acetyl-4-fluorocyclohexa-1,5-dien-1-yl)acetamide.
What is the SMILES notation for N-(3-acetyl-4-fluorocyclohexa-1,5-dien-1-yl)acetamide?
The canonical SMILES for N-(3-acetyl-4-fluorocyclohexa-1,5-dien-1-yl)acetamide is CC(=O)NC1=CC(C(C)=O)C(F)C=C1.
What is the InChIKey of N-(3-acetyl-4-fluorocyclohexa-1,5-dien-1-yl)acetamide?
The InChIKey is QWIXZEMEADGERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-6(13)9-5-8(12-7(2)14)3-4-10(9)11/h3-5,9-10H,1-2H3,(H,12,14).
What are the key properties of N-(3-acetyl-4-fluorocyclohexa-1,5-dien-1-yl)acetamide?
N-(3-acetyl-4-fluorocyclohexa-1,5-dien-1-yl)acetamide has a molecular weight of 197.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-4-fluorocyclohexa-1,5-dien-1-yl)acetamide is sourced from PubChem (CID 89107117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).