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

C12H9F3O2 — CID 118830299

IUPAC[4-(trifluoromethoxy)naphthalen-2-yl]methanol
SMILESOCc1cc(OC(F)(F)F)c2ccccc2c1
InChIInChI=1S/C12H9F3O2/c13-12(14,15)17-11-6-8(7-16)5-9-3-1-2-4-10(9)11/h1-6,16H,7H2
InChIKeyBANVQZFJDYCSPD-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.23
Rot. Bonds2

About [4-(trifluoromethoxy)naphthalen-2-yl]methanol

[4-(trifluoromethoxy)naphthalen-2-yl]methanol (PubChem CID 118830299) has the molecular formula C12H9F3O2 and a molecular weight of 242.20 g/mol. Its IUPAC name is [4-(trifluoromethoxy)naphthalen-2-yl]methanol.

Molecular Properties

Compound Name[4-(trifluoromethoxy)naphthalen-2-yl]methanol
PubChem CID118830299
Molecular FormulaC12H9F3O2
Molecular Weight242.20 g/mol
Exact Mass242.06
IUPAC Name[4-(trifluoromethoxy)naphthalen-2-yl]methanol
SMILESOCc1cc(OC(F)(F)F)c2ccccc2c1
InChIInChI=1S/C12H9F3O2/c13-12(14,15)17-11-6-8(7-16)5-9-3-1-2-4-10(9)11/h1-6,16H,7H2
InChIKeyBANVQZFJDYCSPD-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
[3-(trifluoromethoxy)naphthalen-1-yl]methanol
CID 118803751
2-(trifluoromethoxy)naphthalen-1-olate
CID 22090504
[2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 118802410
2-chloro-4-(trifluoromethoxy)quinoline
CID 150452765
[3-(hydroxymethyl)-5-phenanthren-9-ylphenyl]methanol
CID 88900775
2-iodyl-3-(trifluoromethoxy)naphthalene-1-carboxylic acid
CID 23357096
6-(difluoromethyl)-1-(trifluoromethoxy)naphthalene
CID 118842934
[5-methyl-2-(trifluoromethoxy)phenyl]methanol
CID 67765469
2-methoxy-1-(trifluoromethoxy)naphthalene
CID 149345741
[4-amino-2-(trifluoromethoxy)phenyl]methanol
CID 118822833
[2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanol
CID 172649054

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethoxy)naphthalen-2-yl]methanol?
The IUPAC name of [4-(trifluoromethoxy)naphthalen-2-yl]methanol (CID 118830299) is [4-(trifluoromethoxy)naphthalen-2-yl]methanol.
What is the SMILES notation for [4-(trifluoromethoxy)naphthalen-2-yl]methanol?
The canonical SMILES for [4-(trifluoromethoxy)naphthalen-2-yl]methanol is OCc1cc(OC(F)(F)F)c2ccccc2c1.
What is the InChIKey of [4-(trifluoromethoxy)naphthalen-2-yl]methanol?
The InChIKey is BANVQZFJDYCSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O2/c13-12(14,15)17-11-6-8(7-16)5-9-3-1-2-4-10(9)11/h1-6,16H,7H2.
What are the key properties of [4-(trifluoromethoxy)naphthalen-2-yl]methanol?
[4-(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 [4-(trifluoromethoxy)naphthalen-2-yl]methanol is sourced from PubChem (CID 118830299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).