8-fluoro-1-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-ol

C11H10F4O — CID 84736450

IUPAC8-fluoro-1-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-ol
SMILESOC1(C(F)(F)F)CCCc2cccc(F)c21
InChIInChI=1S/C11H10F4O/c12-8-5-1-3-7-4-2-6-10(16,9(7)8)11(13,14)15/h1,3,5,16H,2,4,6H2
InChIKeyUSRZUBPOAICXLS-UHFFFAOYSA-N
MW234.19 g/mol
LogP2.91
Rot. Bonds

About 8-fluoro-1-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-ol

8-fluoro-1-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 84736450) has the molecular formula C11H10F4O and a molecular weight of 234.19 g/mol. Its IUPAC name is 8-fluoro-1-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name8-fluoro-1-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID84736450
Molecular FormulaC11H10F4O
Molecular Weight234.19 g/mol
Exact Mass234.07
IUPAC Name8-fluoro-1-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-ol
SMILESOC1(C(F)(F)F)CCCc2cccc(F)c21
InChIInChI=1S/C11H10F4O/c12-8-5-1-3-7-4-2-6-10(16,9(7)8)11(13,14)15/h1,3,5,16H,2,4,6H2
InChIKeyUSRZUBPOAICXLS-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 8-fluoro-1-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-ol (CID 84736450) is 8-fluoro-1-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 8-fluoro-1-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 8-fluoro-1-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-ol is OC1(C(F)(F)F)CCCc2cccc(F)c21.
What is the InChIKey of 8-fluoro-1-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is USRZUBPOAICXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O/c12-8-5-1-3-7-4-2-6-10(16,9(7)8)11(13,14)15/h1,3,5,16H,2,4,6H2.
What are the key properties of 8-fluoro-1-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-ol?
8-fluoro-1-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 234.19 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 84736450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).