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

C8H10FNO — CID 89363295

IUPACN-(3-fluorocyclohexa-1,5-dien-1-yl)acetamide
SMILESCC(=O)NC1=CC(F)CC=C1
InChIInChI=1S/C8H10FNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2,4-5,7H,3H2,1H3,(H,10,11)
InChIKeyFZUIJDGUEVMUFV-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.30
Rot. Bonds1

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

N-(3-fluorocyclohexa-1,5-dien-1-yl)acetamide (PubChem CID 89363295) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is N-(3-fluorocyclohexa-1,5-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluorocyclohexa-1,5-dien-1-yl)acetamide
PubChem CID89363295
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC NameN-(3-fluorocyclohexa-1,5-dien-1-yl)acetamide
SMILESCC(=O)NC1=CC(F)CC=C1
InChIInChI=1S/C8H10FNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2,4-5,7H,3H2,1H3,(H,10,11)
InChIKeyFZUIJDGUEVMUFV-UHFFFAOYSA-N
XLogP1.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorocyclohexa-1,5-dien-1-yl)acetamide?
The IUPAC name of N-(3-fluorocyclohexa-1,5-dien-1-yl)acetamide (CID 89363295) is N-(3-fluorocyclohexa-1,5-dien-1-yl)acetamide.
What is the SMILES notation for N-(3-fluorocyclohexa-1,5-dien-1-yl)acetamide?
The canonical SMILES for N-(3-fluorocyclohexa-1,5-dien-1-yl)acetamide is CC(=O)NC1=CC(F)CC=C1.
What is the InChIKey of N-(3-fluorocyclohexa-1,5-dien-1-yl)acetamide?
The InChIKey is FZUIJDGUEVMUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2,4-5,7H,3H2,1H3,(H,10,11).
What are the key properties of N-(3-fluorocyclohexa-1,5-dien-1-yl)acetamide?
N-(3-fluorocyclohexa-1,5-dien-1-yl)acetamide has a molecular weight of 155.17 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorocyclohexa-1,5-dien-1-yl)acetamide is sourced from PubChem (CID 89363295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).