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

C12H15FO — CID 58660561

IUPAC8-fluoro-2,3,6-trimethyl-3,4-dihydro-2H-chromene
SMILESCc1cc(F)c2c(c1)CC(C)C(C)O2
InChIInChI=1S/C12H15FO/c1-7-4-10-6-8(2)9(3)14-12(10)11(13)5-7/h4-5,8-9H,6H2,1-3H3
InChIKeyVEPNOMLBMNLQIV-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.09
Rot. Bonds

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

8-fluoro-2,3,6-trimethyl-3,4-dihydro-2H-chromene (PubChem CID 58660561) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 8-fluoro-2,3,6-trimethyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name8-fluoro-2,3,6-trimethyl-3,4-dihydro-2H-chromene
PubChem CID58660561
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name8-fluoro-2,3,6-trimethyl-3,4-dihydro-2H-chromene
SMILESCc1cc(F)c2c(c1)CC(C)C(C)O2
InChIInChI=1S/C12H15FO/c1-7-4-10-6-8(2)9(3)14-12(10)11(13)5-7/h4-5,8-9H,6H2,1-3H3
InChIKeyVEPNOMLBMNLQIV-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,3,6-trimethyl-3,4-dihydro-2H-chromene?
The IUPAC name of 8-fluoro-2,3,6-trimethyl-3,4-dihydro-2H-chromene (CID 58660561) is 8-fluoro-2,3,6-trimethyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 8-fluoro-2,3,6-trimethyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 8-fluoro-2,3,6-trimethyl-3,4-dihydro-2H-chromene is Cc1cc(F)c2c(c1)CC(C)C(C)O2.
What is the InChIKey of 8-fluoro-2,3,6-trimethyl-3,4-dihydro-2H-chromene?
The InChIKey is VEPNOMLBMNLQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-7-4-10-6-8(2)9(3)14-12(10)11(13)5-7/h4-5,8-9H,6H2,1-3H3.
What are the key properties of 8-fluoro-2,3,6-trimethyl-3,4-dihydro-2H-chromene?
8-fluoro-2,3,6-trimethyl-3,4-dihydro-2H-chromene has a molecular weight of 194.25 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,3,6-trimethyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 58660561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).