6-fluoro-3,4-dihydro-2H-chromene-8-carbaldehyde

C10H9FO2 — CID 11229132

IUPAC6-fluoro-3,4-dihydro-2H-chromene-8-carbaldehyde
SMILESO=Cc1cc(F)cc2c1OCCC2
InChIInChI=1S/C10H9FO2/c11-9-4-7-2-1-3-13-10(7)8(5-9)6-12/h4-6H,1-3H2
InChIKeyRSVLOWLCSDVHKN-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.96
Rot. Bonds1

About 6-fluoro-3,4-dihydro-2H-chromene-8-carbaldehyde

6-fluoro-3,4-dihydro-2H-chromene-8-carbaldehyde (PubChem CID 11229132) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 6-fluoro-3,4-dihydro-2H-chromene-8-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-3,4-dihydro-2H-chromene-8-carbaldehyde
PubChem CID11229132
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name6-fluoro-3,4-dihydro-2H-chromene-8-carbaldehyde
SMILESO=Cc1cc(F)cc2c1OCCC2
InChIInChI=1S/C10H9FO2/c11-9-4-7-2-1-3-13-10(7)8(5-9)6-12/h4-6H,1-3H2
InChIKeyRSVLOWLCSDVHKN-UHFFFAOYSA-N
XLogP1.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.96
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-3,4-dihydro-2H-chromene-8-carbaldehyde?
The IUPAC name of 6-fluoro-3,4-dihydro-2H-chromene-8-carbaldehyde (CID 11229132) is 6-fluoro-3,4-dihydro-2H-chromene-8-carbaldehyde.
What is the SMILES notation for 6-fluoro-3,4-dihydro-2H-chromene-8-carbaldehyde?
The canonical SMILES for 6-fluoro-3,4-dihydro-2H-chromene-8-carbaldehyde is O=Cc1cc(F)cc2c1OCCC2.
What is the InChIKey of 6-fluoro-3,4-dihydro-2H-chromene-8-carbaldehyde?
The InChIKey is RSVLOWLCSDVHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c11-9-4-7-2-1-3-13-10(7)8(5-9)6-12/h4-6H,1-3H2.
What are the key properties of 6-fluoro-3,4-dihydro-2H-chromene-8-carbaldehyde?
6-fluoro-3,4-dihydro-2H-chromene-8-carbaldehyde has a molecular weight of 180.18 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,4-dihydro-2H-chromene-8-carbaldehyde is sourced from PubChem (CID 11229132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).