7-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)chromen-4-one

C17H8F6O3 — CID 172877977

IUPAC7-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)chromen-4-one
SMILESO=c1cc(C(F)(F)F)oc2cc(-c3ccccc3OC(F)(F)F)ccc12
InChIInChI=1S/C17H8F6O3/c18-16(19,20)15-8-12(24)11-6-5-9(7-14(11)25-15)10-3-1-2-4-13(10)26-17(21,22)23/h1-8H
InChIKeyHRCBKPOBQHBGTF-UHFFFAOYSA-N
MW374.24 g/mol
LogP5.38
Rot. Bonds2

About 7-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)chromen-4-one

7-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)chromen-4-one (PubChem CID 172877977) has the molecular formula C17H8F6O3 and a molecular weight of 374.24 g/mol. Its IUPAC name is 7-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name7-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)chromen-4-one
PubChem CID172877977
Molecular FormulaC17H8F6O3
Molecular Weight374.24 g/mol
Exact Mass374.04
IUPAC Name7-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)chromen-4-one
SMILESO=c1cc(C(F)(F)F)oc2cc(-c3ccccc3OC(F)(F)F)ccc12
InChIInChI=1S/C17H8F6O3/c18-16(19,20)15-8-12(24)11-6-5-9(7-14(11)25-15)10-3-1-2-4-13(10)26-17(21,22)23/h1-8H
InChIKeyHRCBKPOBQHBGTF-UHFFFAOYSA-N
XLogP5.38
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.24
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 7-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)chromen-4-one (CID 172877977) is 7-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 7-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 7-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)chromen-4-one is O=c1cc(C(F)(F)F)oc2cc(-c3ccccc3OC(F)(F)F)ccc12.
What is the InChIKey of 7-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)chromen-4-one?
The InChIKey is HRCBKPOBQHBGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8F6O3/c18-16(19,20)15-8-12(24)11-6-5-9(7-14(11)25-15)10-3-1-2-4-13(10)26-17(21,22)23/h1-8H.
What are the key properties of 7-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)chromen-4-one?
7-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)chromen-4-one has a molecular weight of 374.24 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 172877977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).