8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene

C16H13F3O2 — CID 70322575

IUPAC8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene
SMILESFC(F)(F)Oc1ccccc1-c1cccc2c1OCCC2
InChIInChI=1S/C16H13F3O2/c17-16(18,19)21-14-9-2-1-7-12(14)13-8-3-5-11-6-4-10-20-15(11)13/h1-3,5,7-9H,4,6,10H2
InChIKeyOCXJJWYALYNZBO-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.58
Rot. Bonds2

About 8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene

8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene (PubChem CID 70322575) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene
PubChem CID70322575
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene
SMILESFC(F)(F)Oc1ccccc1-c1cccc2c1OCCC2
InChIInChI=1S/C16H13F3O2/c17-16(18,19)21-14-9-2-1-7-12(14)13-8-3-5-11-6-4-10-20-15(11)13/h1-3,5,7-9H,4,6,10H2
InChIKeyOCXJJWYALYNZBO-UHFFFAOYSA-N
XLogP4.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene (CID 70322575) is 8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene is FC(F)(F)Oc1ccccc1-c1cccc2c1OCCC2.
What is the InChIKey of 8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene?
The InChIKey is OCXJJWYALYNZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c17-16(18,19)21-14-9-2-1-7-12(14)13-8-3-5-11-6-4-10-20-15(11)13/h1-3,5,7-9H,4,6,10H2.
What are the key properties of 8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene?
8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene has a molecular weight of 294.27 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 70322575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).