1-hydroxy-1-(trifluoromethyl)benzo[e][1]benzofuran-2-one

C13H7F3O3 — CID 608020

IUPAC1-hydroxy-1-(trifluoromethyl)benzo[e][1]benzofuran-2-one
SMILESO=C1Oc2ccc3ccccc3c2C1(O)C(F)(F)F
InChIInChI=1S/C13H7F3O3/c14-13(15,16)12(18)10-8-4-2-1-3-7(8)5-6-9(10)19-11(12)17/h1-6,18H
InChIKeyOVULSBIODGMCAH-UHFFFAOYSA-N
MW268.19 g/mol
LogP2.51
Rot. Bonds

About 1-hydroxy-1-(trifluoromethyl)benzo[e][1]benzofuran-2-one

1-hydroxy-1-(trifluoromethyl)benzo[e][1]benzofuran-2-one (PubChem CID 608020) has the molecular formula C13H7F3O3 and a molecular weight of 268.19 g/mol. Its IUPAC name is 1-hydroxy-1-(trifluoromethyl)benzo[e][1]benzofuran-2-one.

Molecular Properties

Compound Name1-hydroxy-1-(trifluoromethyl)benzo[e][1]benzofuran-2-one
PubChem CID608020
Molecular FormulaC13H7F3O3
Molecular Weight268.19 g/mol
Exact Mass268.03
IUPAC Name1-hydroxy-1-(trifluoromethyl)benzo[e][1]benzofuran-2-one
SMILESO=C1Oc2ccc3ccccc3c2C1(O)C(F)(F)F
InChIInChI=1S/C13H7F3O3/c14-13(15,16)12(18)10-8-4-2-1-3-7(8)5-6-9(10)19-11(12)17/h1-6,18H
InChIKeyOVULSBIODGMCAH-UHFFFAOYSA-N
XLogP2.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(R,S)-5,7-di-tert-butyl-3-hydroxy-3-trifluoromethyl-3H-benzofuran-2-one
CID 4332683
(3S)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one
CID 7023848
2-Hydroxy-1-naphthaleneacetic acid lactone
CID 78055
3-hydroxy-5-methyl-3-(trifluoromethyl)-1-benzofuran-2(3H)-one
CID 2801695
6-(Carboxy-difluoro-methoxy)-naphthalene-2-carboxylic acid
CID 11119535
3-Hydroxy-3-trifluoromethyl-2(3h)benzofuranone
CID 13865848
(1S,8R)-1-hydroxy-1,5,8-trimethyl-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-one
CID 23624837
(1S,8S)-1-hydroxy-1,5,8-trimethyl-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-one
CID 23624996
(3R)-3-(Trifluoromethyl)-3-hydroxy-5,7-di-tert-butylbenzofuran-2(3H)-one
CID 7023847
(3S)-3-hydroxy-5,7-bis(2-methylbutan-2-yl)-3-(trifluoromethyl)-1-benzofuran-2-one
CID 68407838
3-hydroxy-3-(trifluoromethyl)naphtho[1,2-b]furan-2(3H)-one
CID 3999366
3-Hydroxy-6,7-dimethyl-3-(trifluoromethyl)-3-hydrobenzo[b]furan-2-one
CID 4210657

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-(trifluoromethyl)benzo[e][1]benzofuran-2-one?
The IUPAC name of 1-hydroxy-1-(trifluoromethyl)benzo[e][1]benzofuran-2-one (CID 608020) is 1-hydroxy-1-(trifluoromethyl)benzo[e][1]benzofuran-2-one.
What is the SMILES notation for 1-hydroxy-1-(trifluoromethyl)benzo[e][1]benzofuran-2-one?
The canonical SMILES for 1-hydroxy-1-(trifluoromethyl)benzo[e][1]benzofuran-2-one is O=C1Oc2ccc3ccccc3c2C1(O)C(F)(F)F.
What is the InChIKey of 1-hydroxy-1-(trifluoromethyl)benzo[e][1]benzofuran-2-one?
The InChIKey is OVULSBIODGMCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3O3/c14-13(15,16)12(18)10-8-4-2-1-3-7(8)5-6-9(10)19-11(12)17/h1-6,18H.
What are the key properties of 1-hydroxy-1-(trifluoromethyl)benzo[e][1]benzofuran-2-one?
1-hydroxy-1-(trifluoromethyl)benzo[e][1]benzofuran-2-one has a molecular weight of 268.19 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-(trifluoromethyl)benzo[e][1]benzofuran-2-one is sourced from PubChem (CID 608020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).