6-fluoro-2H-chromene-2-carbaldehyde

C10H7FO2 — CID 163426589

IUPAC6-fluoro-2H-chromene-2-carbaldehyde
SMILESO=CC1C=Cc2cc(F)ccc2O1
InChIInChI=1S/C10H7FO2/c11-8-2-4-10-7(5-8)1-3-9(6-12)13-10/h1-6,9H
InChIKeyANAWBYLACJQBFL-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.80
Rot. Bonds1

About 6-fluoro-2H-chromene-2-carbaldehyde

6-fluoro-2H-chromene-2-carbaldehyde (PubChem CID 163426589) has the molecular formula C10H7FO2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 6-fluoro-2H-chromene-2-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-2H-chromene-2-carbaldehyde
PubChem CID163426589
Molecular FormulaC10H7FO2
Molecular Weight178.16 g/mol
Exact Mass178.04
IUPAC Name6-fluoro-2H-chromene-2-carbaldehyde
SMILESO=CC1C=Cc2cc(F)ccc2O1
InChIInChI=1S/C10H7FO2/c11-8-2-4-10-7(5-8)1-3-9(6-12)13-10/h1-6,9H
InChIKeyANAWBYLACJQBFL-UHFFFAOYSA-N
XLogP1.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2H-chromene-2-carbaldehyde?
The IUPAC name of 6-fluoro-2H-chromene-2-carbaldehyde (CID 163426589) is 6-fluoro-2H-chromene-2-carbaldehyde.
What is the SMILES notation for 6-fluoro-2H-chromene-2-carbaldehyde?
The canonical SMILES for 6-fluoro-2H-chromene-2-carbaldehyde is O=CC1C=Cc2cc(F)ccc2O1.
What is the InChIKey of 6-fluoro-2H-chromene-2-carbaldehyde?
The InChIKey is ANAWBYLACJQBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO2/c11-8-2-4-10-7(5-8)1-3-9(6-12)13-10/h1-6,9H.
What are the key properties of 6-fluoro-2H-chromene-2-carbaldehyde?
6-fluoro-2H-chromene-2-carbaldehyde has a molecular weight of 178.16 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2H-chromene-2-carbaldehyde is sourced from PubChem (CID 163426589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).