6-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-ol

C9H7F3O2 — CID 67087230

IUPAC6-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-ol
SMILESOC1OCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C9H7F3O2/c10-9(11,12)6-2-1-5-4-14-8(13)7(5)3-6/h1-3,8,13H,4H2
InChIKeyAZNCFOPLEIBQIO-UHFFFAOYSA-N
MW204.15 g/mol
LogP2.23
Rot. Bonds

About 6-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-ol

6-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-ol (PubChem CID 67087230) has the molecular formula C9H7F3O2 and a molecular weight of 204.15 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-ol.

Molecular Properties

Compound Name6-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-ol
PubChem CID67087230
Molecular FormulaC9H7F3O2
Molecular Weight204.15 g/mol
Exact Mass204.04
IUPAC Name6-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-ol
SMILESOC1OCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C9H7F3O2/c10-9(11,12)6-2-1-5-4-14-8(13)7(5)3-6/h1-3,8,13H,4H2
InChIKeyAZNCFOPLEIBQIO-UHFFFAOYSA-N
XLogP2.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-ol?
The IUPAC name of 6-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-ol (CID 67087230) is 6-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-ol.
What is the SMILES notation for 6-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-ol?
The canonical SMILES for 6-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-ol is OC1OCc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 6-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-ol?
The InChIKey is AZNCFOPLEIBQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O2/c10-9(11,12)6-2-1-5-4-14-8(13)7(5)3-6/h1-3,8,13H,4H2.
What are the key properties of 6-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-ol?
6-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-ol has a molecular weight of 204.15 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-ol is sourced from PubChem (CID 67087230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).