2-methoxy-1-(trifluoromethoxy)naphthalene

C12H9F3O2 — CID 149345741

IUPAC2-methoxy-1-(trifluoromethoxy)naphthalene
SMILESCOc1ccc2ccccc2c1OC(F)(F)F
InChIInChI=1S/C12H9F3O2/c1-16-10-7-6-8-4-2-3-5-9(8)11(10)17-12(13,14)15/h2-7H,1H3
InChIKeyYFASPEFFWTZMAA-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.75
Rot. Bonds2

About 2-methoxy-1-(trifluoromethoxy)naphthalene

2-methoxy-1-(trifluoromethoxy)naphthalene (PubChem CID 149345741) has the molecular formula C12H9F3O2 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-methoxy-1-(trifluoromethoxy)naphthalene.

Molecular Properties

Compound Name2-methoxy-1-(trifluoromethoxy)naphthalene
PubChem CID149345741
Molecular FormulaC12H9F3O2
Molecular Weight242.20 g/mol
Exact Mass242.06
IUPAC Name2-methoxy-1-(trifluoromethoxy)naphthalene
SMILESCOc1ccc2ccccc2c1OC(F)(F)F
InChIInChI=1S/C12H9F3O2/c1-16-10-7-6-8-4-2-3-5-9(8)11(10)17-12(13,14)15/h2-7H,1H3
InChIKeyYFASPEFFWTZMAA-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(2-methoxynaphthalen-1-yl)oxynaphthalene
CID 168858344
1-ethoxy-2-methoxynaphthalene
CID 45093938
2-(trifluoromethoxy)naphthalen-1-olate
CID 22090504
1,2-bis[(2-methylpropan-2-yl)oxy]naphthalene
CID 18761970
trifluoro-(2-methoxynaphthalen-1-yl)boranuide
CID 63677245
(1R)-2,2,2-trifluoro-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171243950
2-chloro-2,2-difluoro-1-(2-methoxynaphthalen-1-yl)ethanone
CID 146007256
(1S)-2,2,3,3,3-pentafluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine
CID 171311917
2-methoxy-1-(trimethyl-λ4-selanyl)naphthalene
CID 175262224
1-(trifluoromethoxy)naphthalene-2-carbonyl chloride
CID 166641127
potassium trifluoro-(2-methoxynaphthalen-1-yl)boranuide
CID 63677244
2,2,3,3,4,4,4-heptafluoro-1-(2-methoxynaphthalen-1-yl)butan-1-one
CID 146007268

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(trifluoromethoxy)naphthalene?
The IUPAC name of 2-methoxy-1-(trifluoromethoxy)naphthalene (CID 149345741) is 2-methoxy-1-(trifluoromethoxy)naphthalene.
What is the SMILES notation for 2-methoxy-1-(trifluoromethoxy)naphthalene?
The canonical SMILES for 2-methoxy-1-(trifluoromethoxy)naphthalene is COc1ccc2ccccc2c1OC(F)(F)F.
What is the InChIKey of 2-methoxy-1-(trifluoromethoxy)naphthalene?
The InChIKey is YFASPEFFWTZMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O2/c1-16-10-7-6-8-4-2-3-5-9(8)11(10)17-12(13,14)15/h2-7H,1H3.
What are the key properties of 2-methoxy-1-(trifluoromethoxy)naphthalene?
2-methoxy-1-(trifluoromethoxy)naphthalene has a molecular weight of 242.20 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(trifluoromethoxy)naphthalene is sourced from PubChem (CID 149345741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).