6-(trifluoromethyl)-4,4a-dihydronaphthalen-2-ol

C11H9F3O — CID 163457216

IUPAC6-(trifluoromethyl)-4,4a-dihydronaphthalen-2-ol
SMILESOC1=CCC2C=C(C(F)(F)F)C=CC2=C1
InChIInChI=1S/C11H9F3O/c12-11(13,14)9-3-1-8-6-10(15)4-2-7(8)5-9/h1,3-7,15H,2H2
InChIKeyBLMUMUVSLMOTGI-UHFFFAOYSA-N
MW214.19 g/mol
LogP3.43
Rot. Bonds

About 6-(trifluoromethyl)-4,4a-dihydronaphthalen-2-ol

6-(trifluoromethyl)-4,4a-dihydronaphthalen-2-ol (PubChem CID 163457216) has the molecular formula C11H9F3O and a molecular weight of 214.19 g/mol. Its IUPAC name is 6-(trifluoromethyl)-4,4a-dihydronaphthalen-2-ol.

Molecular Properties

Compound Name6-(trifluoromethyl)-4,4a-dihydronaphthalen-2-ol
PubChem CID163457216
Molecular FormulaC11H9F3O
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name6-(trifluoromethyl)-4,4a-dihydronaphthalen-2-ol
SMILESOC1=CCC2C=C(C(F)(F)F)C=CC2=C1
InChIInChI=1S/C11H9F3O/c12-11(13,14)9-3-1-8-6-10(15)4-2-7(8)5-9/h1,3-7,15H,2H2
InChIKeyBLMUMUVSLMOTGI-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-4,4a-dihydronaphthalen-2-ol?
The IUPAC name of 6-(trifluoromethyl)-4,4a-dihydronaphthalen-2-ol (CID 163457216) is 6-(trifluoromethyl)-4,4a-dihydronaphthalen-2-ol.
What is the SMILES notation for 6-(trifluoromethyl)-4,4a-dihydronaphthalen-2-ol?
The canonical SMILES for 6-(trifluoromethyl)-4,4a-dihydronaphthalen-2-ol is OC1=CCC2C=C(C(F)(F)F)C=CC2=C1.
What is the InChIKey of 6-(trifluoromethyl)-4,4a-dihydronaphthalen-2-ol?
The InChIKey is BLMUMUVSLMOTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O/c12-11(13,14)9-3-1-8-6-10(15)4-2-7(8)5-9/h1,3-7,15H,2H2.
What are the key properties of 6-(trifluoromethyl)-4,4a-dihydronaphthalen-2-ol?
6-(trifluoromethyl)-4,4a-dihydronaphthalen-2-ol has a molecular weight of 214.19 g/mol, XLogP of 3.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-4,4a-dihydronaphthalen-2-ol is sourced from PubChem (CID 163457216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).