(6-ethoxy-2-fluorocyclohexa-2,4-dien-1-ylidene)methanone

C9H9FO2 — CID 174349200

IUPAC(6-ethoxy-2-fluorocyclohexa-2,4-dien-1-ylidene)methanone
SMILESCCOC1C=CC=C(F)C1=C=O
InChIInChI=1S/C9H9FO2/c1-2-12-9-5-3-4-8(10)7(9)6-11/h3-5,9H,2H2,1H3
InChIKeyONGNJNNUDCUQRW-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.57
Rot. Bonds2

About (6-ethoxy-2-fluorocyclohexa-2,4-dien-1-ylidene)methanone

(6-ethoxy-2-fluorocyclohexa-2,4-dien-1-ylidene)methanone (PubChem CID 174349200) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is (6-ethoxy-2-fluorocyclohexa-2,4-dien-1-ylidene)methanone.

Molecular Properties

Compound Name(6-ethoxy-2-fluorocyclohexa-2,4-dien-1-ylidene)methanone
PubChem CID174349200
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name(6-ethoxy-2-fluorocyclohexa-2,4-dien-1-ylidene)methanone
SMILESCCOC1C=CC=C(F)C1=C=O
InChIInChI=1S/C9H9FO2/c1-2-12-9-5-3-4-8(10)7(9)6-11/h3-5,9H,2H2,1H3
InChIKeyONGNJNNUDCUQRW-UHFFFAOYSA-N
XLogP1.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-2-fluorocyclohexa-2,4-dien-1-ylidene)methanone?
The IUPAC name of (6-ethoxy-2-fluorocyclohexa-2,4-dien-1-ylidene)methanone (CID 174349200) is (6-ethoxy-2-fluorocyclohexa-2,4-dien-1-ylidene)methanone.
What is the SMILES notation for (6-ethoxy-2-fluorocyclohexa-2,4-dien-1-ylidene)methanone?
The canonical SMILES for (6-ethoxy-2-fluorocyclohexa-2,4-dien-1-ylidene)methanone is CCOC1C=CC=C(F)C1=C=O.
What is the InChIKey of (6-ethoxy-2-fluorocyclohexa-2,4-dien-1-ylidene)methanone?
The InChIKey is ONGNJNNUDCUQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c1-2-12-9-5-3-4-8(10)7(9)6-11/h3-5,9H,2H2,1H3.
What are the key properties of (6-ethoxy-2-fluorocyclohexa-2,4-dien-1-ylidene)methanone?
(6-ethoxy-2-fluorocyclohexa-2,4-dien-1-ylidene)methanone has a molecular weight of 168.17 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-2-fluorocyclohexa-2,4-dien-1-ylidene)methanone is sourced from PubChem (CID 174349200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).