8-(trifluoromethoxy)-2,3-dihydrochromen-4-one

C10H7F3O3 — CID 22708350

IUPAC8-(trifluoromethoxy)-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2c(OC(F)(F)F)cccc21
InChIInChI=1S/C10H7F3O3/c11-10(12,13)16-8-3-1-2-6-7(14)4-5-15-9(6)8/h1-3H,4-5H2
InChIKeyNVTWXGBPZHFELL-UHFFFAOYSA-N
MW232.16 g/mol
LogP2.55
Rot. Bonds1

About 8-(trifluoromethoxy)-2,3-dihydrochromen-4-one

8-(trifluoromethoxy)-2,3-dihydrochromen-4-one (PubChem CID 22708350) has the molecular formula C10H7F3O3 and a molecular weight of 232.16 g/mol. Its IUPAC name is 8-(trifluoromethoxy)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name8-(trifluoromethoxy)-2,3-dihydrochromen-4-one
PubChem CID22708350
Molecular FormulaC10H7F3O3
Molecular Weight232.16 g/mol
Exact Mass232.03
IUPAC Name8-(trifluoromethoxy)-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2c(OC(F)(F)F)cccc21
InChIInChI=1S/C10H7F3O3/c11-10(12,13)16-8-3-1-2-6-7(14)4-5-15-9(6)8/h1-3H,4-5H2
InChIKeyNVTWXGBPZHFELL-UHFFFAOYSA-N
XLogP2.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethoxy)-2,3-dihydrochromen-4-one?
The IUPAC name of 8-(trifluoromethoxy)-2,3-dihydrochromen-4-one (CID 22708350) is 8-(trifluoromethoxy)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 8-(trifluoromethoxy)-2,3-dihydrochromen-4-one?
The canonical SMILES for 8-(trifluoromethoxy)-2,3-dihydrochromen-4-one is O=C1CCOc2c(OC(F)(F)F)cccc21.
What is the InChIKey of 8-(trifluoromethoxy)-2,3-dihydrochromen-4-one?
The InChIKey is NVTWXGBPZHFELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O3/c11-10(12,13)16-8-3-1-2-6-7(14)4-5-15-9(6)8/h1-3H,4-5H2.
What are the key properties of 8-(trifluoromethoxy)-2,3-dihydrochromen-4-one?
8-(trifluoromethoxy)-2,3-dihydrochromen-4-one has a molecular weight of 232.16 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethoxy)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 22708350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).