8-fluoro-3,4-dihydro-2H-chromen-7-ol

C9H9FO2 — CID 101361843

IUPAC8-fluoro-3,4-dihydro-2H-chromen-7-ol
SMILESOc1ccc2c(c1F)OCCC2
InChIInChI=1S/C9H9FO2/c10-8-7(11)4-3-6-2-1-5-12-9(6)8/h3-4,11H,1-2,5H2
InChIKeyFJJAIFBCEGHMOW-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.86
Rot. Bonds

About 8-fluoro-3,4-dihydro-2H-chromen-7-ol

8-fluoro-3,4-dihydro-2H-chromen-7-ol (PubChem CID 101361843) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 8-fluoro-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name8-fluoro-3,4-dihydro-2H-chromen-7-ol
PubChem CID101361843
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name8-fluoro-3,4-dihydro-2H-chromen-7-ol
SMILESOc1ccc2c(c1F)OCCC2
InChIInChI=1S/C9H9FO2/c10-8-7(11)4-3-6-2-1-5-12-9(6)8/h3-4,11H,1-2,5H2
InChIKeyFJJAIFBCEGHMOW-UHFFFAOYSA-N
XLogP1.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 8-fluoro-3,4-dihydro-2H-chromen-7-ol (CID 101361843) is 8-fluoro-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 8-fluoro-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 8-fluoro-3,4-dihydro-2H-chromen-7-ol is Oc1ccc2c(c1F)OCCC2.
What is the InChIKey of 8-fluoro-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is FJJAIFBCEGHMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c10-8-7(11)4-3-6-2-1-5-12-9(6)8/h3-4,11H,1-2,5H2.
What are the key properties of 8-fluoro-3,4-dihydro-2H-chromen-7-ol?
8-fluoro-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 168.17 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 101361843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).