2-[1-(trifluoromethoxy)ethyl]naphthalene

C13H11F3O — CID 20658837

IUPAC2-[1-(trifluoromethoxy)ethyl]naphthalene
SMILESCC(OC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C13H11F3O/c1-9(17-13(14,15)16)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,1H3
InChIKeyVMQDUKJVZCZWAQ-UHFFFAOYSA-N
MW240.22 g/mol
LogP4.44
Rot. Bonds2

About 2-[1-(trifluoromethoxy)ethyl]naphthalene

2-[1-(trifluoromethoxy)ethyl]naphthalene (PubChem CID 20658837) has the molecular formula C13H11F3O and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[1-(trifluoromethoxy)ethyl]naphthalene.

Molecular Properties

Compound Name2-[1-(trifluoromethoxy)ethyl]naphthalene
PubChem CID20658837
Molecular FormulaC13H11F3O
Molecular Weight240.22 g/mol
Exact Mass240.08
IUPAC Name2-[1-(trifluoromethoxy)ethyl]naphthalene
SMILESCC(OC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C13H11F3O/c1-9(17-13(14,15)16)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,1H3
InChIKeyVMQDUKJVZCZWAQ-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(Naphthalen-2-yl)oxirane
CID 30333
1-Naphthylmethyl methyl ether
CID 22195
2-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-biphenyl
CID 18546500
(2R)-2-(4-methylnaphthalen-1-yl)-2,3-dihydropyran-6-one
CID 44570286
Naphthalan
CID 588214
4-Methyl-1-naphthalenemethanol
CID 278678
2,2,2-Trifluoro-1-(9-anthryl)ethanol
CID 103802
(+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol
CID 2724111
2,2,2-Trifluoro-1-(naphthalen-2-yl)ethan-1-ol
CID 3765592
(E)-1-naphthalen-2-ylbut-2-en-1-ol
CID 10845643
9-Anthryloxirane
CID 43720
1-Pyrenyloxirane
CID 100333

Frequently Asked Questions

What is the IUPAC name of 2-[1-(trifluoromethoxy)ethyl]naphthalene?
The IUPAC name of 2-[1-(trifluoromethoxy)ethyl]naphthalene (CID 20658837) is 2-[1-(trifluoromethoxy)ethyl]naphthalene.
What is the SMILES notation for 2-[1-(trifluoromethoxy)ethyl]naphthalene?
The canonical SMILES for 2-[1-(trifluoromethoxy)ethyl]naphthalene is CC(OC(F)(F)F)c1ccc2ccccc2c1.
What is the InChIKey of 2-[1-(trifluoromethoxy)ethyl]naphthalene?
The InChIKey is VMQDUKJVZCZWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3O/c1-9(17-13(14,15)16)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,1H3.
What are the key properties of 2-[1-(trifluoromethoxy)ethyl]naphthalene?
2-[1-(trifluoromethoxy)ethyl]naphthalene has a molecular weight of 240.22 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(trifluoromethoxy)ethyl]naphthalene is sourced from PubChem (CID 20658837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).