2-(trifluoromethoxymethyl)naphthalene

C12H9F3O — CID 23627160

IUPAC2-(trifluoromethoxymethyl)naphthalene
SMILESFC(F)(F)OCc1ccc2ccccc2c1
InChIInChI=1S/C12H9F3O/c13-12(14,15)16-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2
InChIKeyWHULLHMPWXPYFO-UHFFFAOYSA-N
MW226.20 g/mol
LogP3.88
Rot. Bonds2

About 2-(trifluoromethoxymethyl)naphthalene

2-(trifluoromethoxymethyl)naphthalene (PubChem CID 23627160) has the molecular formula C12H9F3O and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-(trifluoromethoxymethyl)naphthalene.

Molecular Properties

Compound Name2-(trifluoromethoxymethyl)naphthalene
PubChem CID23627160
Molecular FormulaC12H9F3O
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Name2-(trifluoromethoxymethyl)naphthalene
SMILESFC(F)(F)OCc1ccc2ccccc2c1
InChIInChI=1S/C12H9F3O/c13-12(14,15)16-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2
InChIKeyWHULLHMPWXPYFO-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Naphthalenemethanol
CID 74128
2-(Naphthalen-2-yl)oxirane
CID 30333
1-Naphthylmethyl methyl ether
CID 22195
2-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-biphenyl
CID 18546500
Naphthalan
CID 588214
4-Methyl-1-naphthalenemethanol
CID 278678
2,2,2-Trifluoro-1-(naphthalen-2-yl)ethan-1-ol
CID 3765592
AGT Ligand 25o
CID 164946859
9-Anthryloxirane
CID 43720
1-Pyrenyloxirane
CID 100333
1-Naphthylmethyl acetate
CID 96329
1,4-Naphthalenedimethanol
CID 15536753

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxymethyl)naphthalene?
The IUPAC name of 2-(trifluoromethoxymethyl)naphthalene (CID 23627160) is 2-(trifluoromethoxymethyl)naphthalene.
What is the SMILES notation for 2-(trifluoromethoxymethyl)naphthalene?
The canonical SMILES for 2-(trifluoromethoxymethyl)naphthalene is FC(F)(F)OCc1ccc2ccccc2c1.
What is the InChIKey of 2-(trifluoromethoxymethyl)naphthalene?
The InChIKey is WHULLHMPWXPYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O/c13-12(14,15)16-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2.
What are the key properties of 2-(trifluoromethoxymethyl)naphthalene?
2-(trifluoromethoxymethyl)naphthalene has a molecular weight of 226.20 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxymethyl)naphthalene is sourced from PubChem (CID 23627160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).