2-(trifluoromethoxy)-4,4a-dihydronaphthalen-1-ol

C11H9F3O2 — CID 154530605

IUPAC2-(trifluoromethoxy)-4,4a-dihydronaphthalen-1-ol
SMILESOC1=C2C=CC=CC2CC=C1OC(F)(F)F
InChIInChI=1S/C11H9F3O2/c12-11(13,14)16-9-6-5-7-3-1-2-4-8(7)10(9)15/h1-4,6-7,15H,5H2
InChIKeyQQFXPPXTESXWFG-UHFFFAOYSA-N
MW230.19 g/mol
LogP3.36
Rot. Bonds1

About 2-(trifluoromethoxy)-4,4a-dihydronaphthalen-1-ol

2-(trifluoromethoxy)-4,4a-dihydronaphthalen-1-ol (PubChem CID 154530605) has the molecular formula C11H9F3O2 and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-(trifluoromethoxy)-4,4a-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name2-(trifluoromethoxy)-4,4a-dihydronaphthalen-1-ol
PubChem CID154530605
Molecular FormulaC11H9F3O2
Molecular Weight230.19 g/mol
Exact Mass230.06
IUPAC Name2-(trifluoromethoxy)-4,4a-dihydronaphthalen-1-ol
SMILESOC1=C2C=CC=CC2CC=C1OC(F)(F)F
InChIInChI=1S/C11H9F3O2/c12-11(13,14)16-9-6-5-7-3-1-2-4-8(7)10(9)15/h1-4,6-7,15H,5H2
InChIKeyQQFXPPXTESXWFG-UHFFFAOYSA-N
XLogP3.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-Ethenyl-3,3-difluoro-4-methyl-2,4-dihydropyran-6-yl)ethenol
CID 156843763
6-(Trifluoromethyl)-4,4a-dihydronaphthalen-2-ol
CID 163457216

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)-4,4a-dihydronaphthalen-1-ol?
The IUPAC name of 2-(trifluoromethoxy)-4,4a-dihydronaphthalen-1-ol (CID 154530605) is 2-(trifluoromethoxy)-4,4a-dihydronaphthalen-1-ol.
What is the SMILES notation for 2-(trifluoromethoxy)-4,4a-dihydronaphthalen-1-ol?
The canonical SMILES for 2-(trifluoromethoxy)-4,4a-dihydronaphthalen-1-ol is OC1=C2C=CC=CC2CC=C1OC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)-4,4a-dihydronaphthalen-1-ol?
The InChIKey is QQFXPPXTESXWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O2/c12-11(13,14)16-9-6-5-7-3-1-2-4-8(7)10(9)15/h1-4,6-7,15H,5H2.
What are the key properties of 2-(trifluoromethoxy)-4,4a-dihydronaphthalen-1-ol?
2-(trifluoromethoxy)-4,4a-dihydronaphthalen-1-ol has a molecular weight of 230.19 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)-4,4a-dihydronaphthalen-1-ol is sourced from PubChem (CID 154530605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).