2-fluoro-2H-chromen-3-ol

C9H7FO2 — CID 174296888

IUPAC2-fluoro-2H-chromen-3-ol
SMILESOC1=Cc2ccccc2OC1F
InChIInChI=1S/C9H7FO2/c10-9-7(11)5-6-3-1-2-4-8(6)12-9/h1-5,9,11H
InChIKeyYMOKXEQVKFRWIF-UHFFFAOYSA-N
MW166.15 g/mol
LogP2.27
Rot. Bonds

About 2-fluoro-2H-chromen-3-ol

2-fluoro-2H-chromen-3-ol (PubChem CID 174296888) has the molecular formula C9H7FO2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 2-fluoro-2H-chromen-3-ol.

Molecular Properties

Compound Name2-fluoro-2H-chromen-3-ol
PubChem CID174296888
Molecular FormulaC9H7FO2
Molecular Weight166.15 g/mol
Exact Mass166.04
IUPAC Name2-fluoro-2H-chromen-3-ol
SMILESOC1=Cc2ccccc2OC1F
InChIInChI=1S/C9H7FO2/c10-9-7(11)5-6-3-1-2-4-8(6)12-9/h1-5,9,11H
InChIKeyYMOKXEQVKFRWIF-UHFFFAOYSA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2H-chromen-3-ol?
The IUPAC name of 2-fluoro-2H-chromen-3-ol (CID 174296888) is 2-fluoro-2H-chromen-3-ol.
What is the SMILES notation for 2-fluoro-2H-chromen-3-ol?
The canonical SMILES for 2-fluoro-2H-chromen-3-ol is OC1=Cc2ccccc2OC1F.
What is the InChIKey of 2-fluoro-2H-chromen-3-ol?
The InChIKey is YMOKXEQVKFRWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO2/c10-9-7(11)5-6-3-1-2-4-8(6)12-9/h1-5,9,11H.
What are the key properties of 2-fluoro-2H-chromen-3-ol?
2-fluoro-2H-chromen-3-ol has a molecular weight of 166.15 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2H-chromen-3-ol is sourced from PubChem (CID 174296888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).