8-fluoro-3,5-dihydro-2H-chromene

C9H9FO — CID 90093016

IUPAC8-fluoro-3,5-dihydro-2H-chromene
SMILESFC1=C2OCCC=C2CC=C1
InChIInChI=1S/C9H9FO/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1,4-5H,2-3,6H2
InChIKeyIHJINIFXMHYUSQ-UHFFFAOYSA-N
MW152.17 g/mol
LogP2.47
Rot. Bonds

About 8-fluoro-3,5-dihydro-2H-chromene

8-fluoro-3,5-dihydro-2H-chromene (PubChem CID 90093016) has the molecular formula C9H9FO and a molecular weight of 152.17 g/mol. Its IUPAC name is 8-fluoro-3,5-dihydro-2H-chromene.

Molecular Properties

Compound Name8-fluoro-3,5-dihydro-2H-chromene
PubChem CID90093016
Molecular FormulaC9H9FO
Molecular Weight152.17 g/mol
Exact Mass152.06
IUPAC Name8-fluoro-3,5-dihydro-2H-chromene
SMILESFC1=C2OCCC=C2CC=C1
InChIInChI=1S/C9H9FO/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1,4-5H,2-3,6H2
InChIKeyIHJINIFXMHYUSQ-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3,5-dihydro-2H-chromene?
The IUPAC name of 8-fluoro-3,5-dihydro-2H-chromene (CID 90093016) is 8-fluoro-3,5-dihydro-2H-chromene.
What is the SMILES notation for 8-fluoro-3,5-dihydro-2H-chromene?
The canonical SMILES for 8-fluoro-3,5-dihydro-2H-chromene is FC1=C2OCCC=C2CC=C1.
What is the InChIKey of 8-fluoro-3,5-dihydro-2H-chromene?
The InChIKey is IHJINIFXMHYUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1,4-5H,2-3,6H2.
What are the key properties of 8-fluoro-3,5-dihydro-2H-chromene?
8-fluoro-3,5-dihydro-2H-chromene has a molecular weight of 152.17 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3,5-dihydro-2H-chromene is sourced from PubChem (CID 90093016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).