7-[3-(trifluoromethoxy)phenyl]-2,3-dihydrochromen-4-one

C16H11F3O3 — CID 169422666

IUPAC7-[3-(trifluoromethoxy)phenyl]-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2cc(-c3cccc(OC(F)(F)F)c3)ccc21
InChIInChI=1S/C16H11F3O3/c17-16(18,19)22-12-3-1-2-10(8-12)11-4-5-13-14(20)6-7-21-15(13)9-11/h1-5,8-9H,6-7H2
InChIKeyWPEJANKSJOCXPL-UHFFFAOYSA-N
MW308.25 g/mol
LogP4.22
Rot. Bonds2

About 7-[3-(trifluoromethoxy)phenyl]-2,3-dihydrochromen-4-one

7-[3-(trifluoromethoxy)phenyl]-2,3-dihydrochromen-4-one (PubChem CID 169422666) has the molecular formula C16H11F3O3 and a molecular weight of 308.25 g/mol. Its IUPAC name is 7-[3-(trifluoromethoxy)phenyl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-[3-(trifluoromethoxy)phenyl]-2,3-dihydrochromen-4-one
PubChem CID169422666
Molecular FormulaC16H11F3O3
Molecular Weight308.25 g/mol
Exact Mass308.07
IUPAC Name7-[3-(trifluoromethoxy)phenyl]-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2cc(-c3cccc(OC(F)(F)F)c3)ccc21
InChIInChI=1S/C16H11F3O3/c17-16(18,19)22-12-3-1-2-10(8-12)11-4-5-13-14(20)6-7-21-15(13)9-11/h1-5,8-9H,6-7H2
InChIKeyWPEJANKSJOCXPL-UHFFFAOYSA-N
XLogP4.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 69455047
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
7-(2-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 169422652
8-(trifluoromethoxy)-2,3-dihydrochromen-4-one
CID 22708350
5-(trifluoromethoxy)-2,3-dihydroinden-1-one
CID 22119026
7-(2,4-dimethylphenyl)-2,3-dihydrochromen-4-one
CID 169422650
1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 154304845
fluoro 4-oxo-2,3-dihydrochromene-7-carboxylate
CID 123445996
6-pyridin-3-yl-2,3-dihydrochromen-4-one
CID 125180520
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
[2,2-dimethyl-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydrochromen-4-yl] carbamate
CID 175253933

Frequently Asked Questions

What is the IUPAC name of 7-[3-(trifluoromethoxy)phenyl]-2,3-dihydrochromen-4-one?
The IUPAC name of 7-[3-(trifluoromethoxy)phenyl]-2,3-dihydrochromen-4-one (CID 169422666) is 7-[3-(trifluoromethoxy)phenyl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-[3-(trifluoromethoxy)phenyl]-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-[3-(trifluoromethoxy)phenyl]-2,3-dihydrochromen-4-one is O=C1CCOc2cc(-c3cccc(OC(F)(F)F)c3)ccc21.
What is the InChIKey of 7-[3-(trifluoromethoxy)phenyl]-2,3-dihydrochromen-4-one?
The InChIKey is WPEJANKSJOCXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O3/c17-16(18,19)22-12-3-1-2-10(8-12)11-4-5-13-14(20)6-7-21-15(13)9-11/h1-5,8-9H,6-7H2.
What are the key properties of 7-[3-(trifluoromethoxy)phenyl]-2,3-dihydrochromen-4-one?
7-[3-(trifluoromethoxy)phenyl]-2,3-dihydrochromen-4-one has a molecular weight of 308.25 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(trifluoromethoxy)phenyl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 169422666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).