3-fluoro-3,4-dihydro-2H-chromene

C9H9FO — CID 15415122

IUPAC3-fluoro-3,4-dihydro-2H-chromene
SMILESFC1COc2ccccc2C1
InChIInChI=1S/C9H9FO/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-4,8H,5-6H2
InChIKeyMNNHSKKUQDWMJJ-UHFFFAOYSA-N
MW152.17 g/mol
LogP1.96
Rot. Bonds

About 3-fluoro-3,4-dihydro-2H-chromene

3-fluoro-3,4-dihydro-2H-chromene (PubChem CID 15415122) has the molecular formula C9H9FO and a molecular weight of 152.17 g/mol. Its IUPAC name is 3-fluoro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name3-fluoro-3,4-dihydro-2H-chromene
PubChem CID15415122
Molecular FormulaC9H9FO
Molecular Weight152.17 g/mol
Exact Mass152.06
IUPAC Name3-fluoro-3,4-dihydro-2H-chromene
SMILESFC1COc2ccccc2C1
InChIInChI=1S/C9H9FO/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-4,8H,5-6H2
InChIKeyMNNHSKKUQDWMJJ-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3,4-dihydro-2H-chromene?
The IUPAC name of 3-fluoro-3,4-dihydro-2H-chromene (CID 15415122) is 3-fluoro-3,4-dihydro-2H-chromene.
What is the SMILES notation for 3-fluoro-3,4-dihydro-2H-chromene?
The canonical SMILES for 3-fluoro-3,4-dihydro-2H-chromene is FC1COc2ccccc2C1.
What is the InChIKey of 3-fluoro-3,4-dihydro-2H-chromene?
The InChIKey is MNNHSKKUQDWMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-4,8H,5-6H2.
What are the key properties of 3-fluoro-3,4-dihydro-2H-chromene?
3-fluoro-3,4-dihydro-2H-chromene has a molecular weight of 152.17 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3,4-dihydro-2H-chromene is sourced from PubChem (CID 15415122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).