2-(2,2,2-trifluoroethoxy)naphthalene

C12H9F3O — CID 21269180

IUPAC2-(2,2,2-trifluoroethoxy)naphthalene
SMILESFC(F)(F)COc1ccc2ccccc2c1
InChIInChI=1S/C12H9F3O/c13-12(14,15)8-16-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2
InChIKeyVXMUCDPTZVKUOH-UHFFFAOYSA-N
MW226.20 g/mol
LogP3.78
Rot. Bonds2

About 2-(2,2,2-trifluoroethoxy)naphthalene

2-(2,2,2-trifluoroethoxy)naphthalene (PubChem CID 21269180) has the molecular formula C12H9F3O and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)naphthalene.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)naphthalene
PubChem CID21269180
Molecular FormulaC12H9F3O
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Name2-(2,2,2-trifluoroethoxy)naphthalene
SMILESFC(F)(F)COc1ccc2ccccc2c1
InChIInChI=1S/C12H9F3O/c13-12(14,15)8-16-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2
InChIKeyVXMUCDPTZVKUOH-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trifluoro-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]boranuide
CID 63677265
2-(7,7,7-trifluoroheptoxy)naphthalene
CID 134838643
2-ethoxynaphthalene
CID 118978197
2-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxyethylcarbamic acid
CID 150441026
acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane
CID 143388365
2-naphthalen-2-yloxyethanethioamide
CID 7454258
2-(4-but-2-enoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene
CID 139856089
2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene
CID 139856467
2,2-dimethyl-3-naphthalen-2-yloxy-N-propan-2-ylpropan-1-amine
CID 79626422
2-naphthalen-2-yloxy-5-(trifluoromethyl)pyrimidine
CID 154226317
2-[3-(fluoromethoxy)propoxy]naphthalene
CID 71043107
2-bromo-1-methyl-4-(2,2,2-trifluoroethoxy)benzene
CID 130995615

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)naphthalene?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)naphthalene (CID 21269180) is 2-(2,2,2-trifluoroethoxy)naphthalene.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)naphthalene?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)naphthalene is FC(F)(F)COc1ccc2ccccc2c1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)naphthalene?
The InChIKey is VXMUCDPTZVKUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O/c13-12(14,15)8-16-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2.
What are the key properties of 2-(2,2,2-trifluoroethoxy)naphthalene?
2-(2,2,2-trifluoroethoxy)naphthalene has a molecular weight of 226.20 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)naphthalene is sourced from PubChem (CID 21269180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).