(3R)-3-hydroxy-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one

C14H9F3O3 — CID 830125

IUPAC(3R)-3-hydroxy-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one
SMILESO=C1C[C@](O)(C(F)(F)F)Oc2ccc3ccccc3c21
InChIInChI=1S/C14H9F3O3/c15-14(16,17)13(19)7-10(18)12-9-4-2-1-3-8(9)5-6-11(12)20-13/h1-6,19H,7H2/t13-/m1/s1
InChIKeyFJLGHQIGIXVHEH-CYBMUJFWSA-N
MW282.22 g/mol
LogP3.06
Rot. Bonds

About (3R)-3-hydroxy-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one

(3R)-3-hydroxy-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one (PubChem CID 830125) has the molecular formula C14H9F3O3 and a molecular weight of 282.22 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one
PubChem CID830125
Molecular FormulaC14H9F3O3
Molecular Weight282.22 g/mol
Exact Mass282.05
IUPAC Name(3R)-3-hydroxy-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one
SMILESO=C1C[C@](O)(C(F)(F)F)Oc2ccc3ccccc3c21
InChIInChI=1S/C14H9F3O3/c15-14(16,17)13(19)7-10(18)12-9-4-2-1-3-8(9)5-6-11(12)20-13/h1-6,19H,7H2/t13-/m1/s1
InChIKeyFJLGHQIGIXVHEH-CYBMUJFWSA-N
XLogP3.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one?
The IUPAC name of (3R)-3-hydroxy-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one (CID 830125) is (3R)-3-hydroxy-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one.
What is the SMILES notation for (3R)-3-hydroxy-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one?
The canonical SMILES for (3R)-3-hydroxy-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one is O=C1C[C@](O)(C(F)(F)F)Oc2ccc3ccccc3c21.
What is the InChIKey of (3R)-3-hydroxy-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one?
The InChIKey is FJLGHQIGIXVHEH-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H9F3O3/c15-14(16,17)13(19)7-10(18)12-9-4-2-1-3-8(9)5-6-11(12)20-13/h1-6,19H,7H2/t13-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one?
(3R)-3-hydroxy-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one has a molecular weight of 282.22 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one is sourced from PubChem (CID 830125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).