[3-(trifluoromethoxy)naphthalen-1-yl]methanol

C12H9F3O2 — CID 118803751

IUPAC[3-(trifluoromethoxy)naphthalen-1-yl]methanol
SMILESOCc1cc(OC(F)(F)F)cc2ccccc12
InChIInChI=1S/C12H9F3O2/c13-12(14,15)17-10-5-8-3-1-2-4-11(8)9(6-10)7-16/h1-6,16H,7H2
InChIKeyMAYUCVKZQCUASU-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.23
Rot. Bonds2

About [3-(trifluoromethoxy)naphthalen-1-yl]methanol

[3-(trifluoromethoxy)naphthalen-1-yl]methanol (PubChem CID 118803751) has the molecular formula C12H9F3O2 and a molecular weight of 242.20 g/mol. Its IUPAC name is [3-(trifluoromethoxy)naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[3-(trifluoromethoxy)naphthalen-1-yl]methanol
PubChem CID118803751
Molecular FormulaC12H9F3O2
Molecular Weight242.20 g/mol
Exact Mass242.06
IUPAC Name[3-(trifluoromethoxy)naphthalen-1-yl]methanol
SMILESOCc1cc(OC(F)(F)F)cc2ccccc12
InChIInChI=1S/C12H9F3O2/c13-12(14,15)17-10-5-8-3-1-2-4-11(8)9(6-10)7-16/h1-6,16H,7H2
InChIKeyMAYUCVKZQCUASU-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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Related Compounds

[3-(trifluoromethoxy)naphthalen-2-yl]methanol
CID 118854447
[4-(trifluoromethoxy)naphthalen-2-yl]methanol
CID 118830299
[3-amino-2-methoxy-5-(trifluoromethoxy)phenyl]methanol
CID 126674741
2-(hydroxymethyl)-4-(trifluoromethoxy)phenol
CID 11694149
[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]methanol
CID 131260902
methyl 4-(hydroxymethyl)naphthalene-2-carboxylate
CID 12749200
1-fluoro-6-(trifluoromethoxy)naphthalene
CID 133084221
2-naphthalen-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4844198
2-(naphthalen-1-ylmethoxy)-4-(trifluoromethoxy)benzoic acid
CID 46202947
2-(trifluoromethoxy)triphenylene
CID 154001040
[2-ethoxy-4-(trifluoromethoxy)phenyl]methanol
CID 170997954
[3-phenyl-2-(trifluoromethoxy)phenyl]methanol
CID 174537079

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethoxy)naphthalen-1-yl]methanol?
The IUPAC name of [3-(trifluoromethoxy)naphthalen-1-yl]methanol (CID 118803751) is [3-(trifluoromethoxy)naphthalen-1-yl]methanol.
What is the SMILES notation for [3-(trifluoromethoxy)naphthalen-1-yl]methanol?
The canonical SMILES for [3-(trifluoromethoxy)naphthalen-1-yl]methanol is OCc1cc(OC(F)(F)F)cc2ccccc12.
What is the InChIKey of [3-(trifluoromethoxy)naphthalen-1-yl]methanol?
The InChIKey is MAYUCVKZQCUASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O2/c13-12(14,15)17-10-5-8-3-1-2-4-11(8)9(6-10)7-16/h1-6,16H,7H2.
What are the key properties of [3-(trifluoromethoxy)naphthalen-1-yl]methanol?
[3-(trifluoromethoxy)naphthalen-1-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-1-yl]methanol is sourced from PubChem (CID 118803751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).