(1-fluorocyclohexa-2,4-dien-1-yl) acetate

C8H9FO2 — CID 151888711

IUPAC(1-fluorocyclohexa-2,4-dien-1-yl) acetate
SMILESCC(=O)OC1(F)C=CC=CC1
InChIInChI=1S/C8H9FO2/c1-7(10)11-8(9)5-3-2-4-6-8/h2-5H,6H2,1H3
InChIKeySQGVRURLKTWLFA-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.73
Rot. Bonds1

About (1-fluorocyclohexa-2,4-dien-1-yl) acetate

(1-fluorocyclohexa-2,4-dien-1-yl) acetate (PubChem CID 151888711) has the molecular formula C8H9FO2 and a molecular weight of 156.16 g/mol. Its IUPAC name is (1-fluorocyclohexa-2,4-dien-1-yl) acetate.

Molecular Properties

Compound Name(1-fluorocyclohexa-2,4-dien-1-yl) acetate
PubChem CID151888711
Molecular FormulaC8H9FO2
Molecular Weight156.16 g/mol
Exact Mass156.06
IUPAC Name(1-fluorocyclohexa-2,4-dien-1-yl) acetate
SMILESCC(=O)OC1(F)C=CC=CC1
InChIInChI=1S/C8H9FO2/c1-7(10)11-8(9)5-3-2-4-6-8/h2-5H,6H2,1H3
InChIKeySQGVRURLKTWLFA-UHFFFAOYSA-N
XLogP1.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclohexa-2,4-dien-1-yl) acetate?
The IUPAC name of (1-fluorocyclohexa-2,4-dien-1-yl) acetate (CID 151888711) is (1-fluorocyclohexa-2,4-dien-1-yl) acetate.
What is the SMILES notation for (1-fluorocyclohexa-2,4-dien-1-yl) acetate?
The canonical SMILES for (1-fluorocyclohexa-2,4-dien-1-yl) acetate is CC(=O)OC1(F)C=CC=CC1.
What is the InChIKey of (1-fluorocyclohexa-2,4-dien-1-yl) acetate?
The InChIKey is SQGVRURLKTWLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2/c1-7(10)11-8(9)5-3-2-4-6-8/h2-5H,6H2,1H3.
What are the key properties of (1-fluorocyclohexa-2,4-dien-1-yl) acetate?
(1-fluorocyclohexa-2,4-dien-1-yl) acetate has a molecular weight of 156.16 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclohexa-2,4-dien-1-yl) acetate is sourced from PubChem (CID 151888711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).