2-(trifluoromethoxy)-5H-chromene

C10H7F3O2 — CID 90716503

IUPAC2-(trifluoromethoxy)-5H-chromene
SMILESFC(F)(F)OC1=CC=C2CC=CC=C2O1
InChIInChI=1S/C10H7F3O2/c11-10(12,13)15-9-6-5-7-3-1-2-4-8(7)14-9/h1-2,4-6H,3H2
InChIKeyLLPJDBKPHFDYBC-UHFFFAOYSA-N
MW216.16 g/mol
LogP3.16
Rot. Bonds1

About 2-(trifluoromethoxy)-5H-chromene

2-(trifluoromethoxy)-5H-chromene (PubChem CID 90716503) has the molecular formula C10H7F3O2 and a molecular weight of 216.16 g/mol. Its IUPAC name is 2-(trifluoromethoxy)-5H-chromene.

Molecular Properties

Compound Name2-(trifluoromethoxy)-5H-chromene
PubChem CID90716503
Molecular FormulaC10H7F3O2
Molecular Weight216.16 g/mol
Exact Mass216.04
IUPAC Name2-(trifluoromethoxy)-5H-chromene
SMILESFC(F)(F)OC1=CC=C2CC=CC=C2O1
InChIInChI=1S/C10H7F3O2/c11-10(12,13)15-9-6-5-7-3-1-2-4-8(7)14-9/h1-2,4-6H,3H2
InChIKeyLLPJDBKPHFDYBC-UHFFFAOYSA-N
XLogP3.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)-5H-chromene?
The IUPAC name of 2-(trifluoromethoxy)-5H-chromene (CID 90716503) is 2-(trifluoromethoxy)-5H-chromene.
What is the SMILES notation for 2-(trifluoromethoxy)-5H-chromene?
The canonical SMILES for 2-(trifluoromethoxy)-5H-chromene is FC(F)(F)OC1=CC=C2CC=CC=C2O1.
What is the InChIKey of 2-(trifluoromethoxy)-5H-chromene?
The InChIKey is LLPJDBKPHFDYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O2/c11-10(12,13)15-9-6-5-7-3-1-2-4-8(7)14-9/h1-2,4-6H,3H2.
What are the key properties of 2-(trifluoromethoxy)-5H-chromene?
2-(trifluoromethoxy)-5H-chromene has a molecular weight of 216.16 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)-5H-chromene is sourced from PubChem (CID 90716503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).