[3-(trifluoromethoxy)naphthalen-2-yl]methanol

C12H9F3O2 — CID 118854447

IUPAC[3-(trifluoromethoxy)naphthalen-2-yl]methanol
SMILESOCc1cc2ccccc2cc1OC(F)(F)F
InChIInChI=1S/C12H9F3O2/c13-12(14,15)17-11-6-9-4-2-1-3-8(9)5-10(11)7-16/h1-6,16H,7H2
InChIKeyFRRYONSZGJSBGM-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.23
Rot. Bonds2

About [3-(trifluoromethoxy)naphthalen-2-yl]methanol

[3-(trifluoromethoxy)naphthalen-2-yl]methanol (PubChem CID 118854447) has the molecular formula C12H9F3O2 and a molecular weight of 242.20 g/mol. Its IUPAC name is [3-(trifluoromethoxy)naphthalen-2-yl]methanol.

Molecular Properties

Compound Name[3-(trifluoromethoxy)naphthalen-2-yl]methanol
PubChem CID118854447
Molecular FormulaC12H9F3O2
Molecular Weight242.20 g/mol
Exact Mass242.06
IUPAC Name[3-(trifluoromethoxy)naphthalen-2-yl]methanol
SMILESOCc1cc2ccccc2cc1OC(F)(F)F
InChIInChI=1S/C12H9F3O2/c13-12(14,15)17-11-6-9-4-2-1-3-8(9)5-10(11)7-16/h1-6,16H,7H2
InChIKeyFRRYONSZGJSBGM-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethoxy)naphthalen-2-yl]methanol?
The IUPAC name of [3-(trifluoromethoxy)naphthalen-2-yl]methanol (CID 118854447) is [3-(trifluoromethoxy)naphthalen-2-yl]methanol.
What is the SMILES notation for [3-(trifluoromethoxy)naphthalen-2-yl]methanol?
The canonical SMILES for [3-(trifluoromethoxy)naphthalen-2-yl]methanol is OCc1cc2ccccc2cc1OC(F)(F)F.
What is the InChIKey of [3-(trifluoromethoxy)naphthalen-2-yl]methanol?
The InChIKey is FRRYONSZGJSBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O2/c13-12(14,15)17-11-6-9-4-2-1-3-8(9)5-10(11)7-16/h1-6,16H,7H2.
What are the key properties of [3-(trifluoromethoxy)naphthalen-2-yl]methanol?
[3-(trifluoromethoxy)naphthalen-2-yl]methanol has a molecular weight of 242.20 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethoxy)naphthalen-2-yl]methanol is sourced from PubChem (CID 118854447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).