1-(1-propoxyethyl)-2-(trifluoromethoxy)benzene

C12H15F3O2 — CID 67813246

IUPAC1-(1-propoxyethyl)-2-(trifluoromethoxy)benzene
SMILESCCCOC(C)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H15F3O2/c1-3-8-16-9(2)10-6-4-5-7-11(10)17-12(13,14)15/h4-7,9H,3,8H2,1-2H3
InChIKeyJFMVWNJRDAULFI-UHFFFAOYSA-N
MW248.24 g/mol
LogP4.07
Rot. Bonds5

About 1-(1-propoxyethyl)-2-(trifluoromethoxy)benzene

1-(1-propoxyethyl)-2-(trifluoromethoxy)benzene (PubChem CID 67813246) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-(1-propoxyethyl)-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(1-propoxyethyl)-2-(trifluoromethoxy)benzene
PubChem CID67813246
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name1-(1-propoxyethyl)-2-(trifluoromethoxy)benzene
SMILESCCCOC(C)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H15F3O2/c1-3-8-16-9(2)10-6-4-5-7-11(10)17-12(13,14)15/h4-7,9H,3,8H2,1-2H3
InChIKeyJFMVWNJRDAULFI-UHFFFAOYSA-N
XLogP4.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959
N-ethyl-2-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115850903
2-ethoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116720833
2-[hydroxy-[2-(trifluoromethoxy)phenyl]methyl]pentanoic acid
CID 83042460
ethyl 2-fluoro-3-hydroxy-3-[2-(trifluoromethoxy)phenyl]propanoate
CID 79366819
1-(1-ethoxyethyl)-2-methoxybenzene
CID 141024824
2-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol
CID 62762382
2,2-dimethyl-N-propyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
CID 63413587
2-ethyl-1-[2-(trifluoromethoxy)phenyl]butane-1,2-diol
CID 103449289
ethyl 2-[2-(trifluoromethoxy)phenyl]pentanoate
CID 83043039
[2-ethoxy-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105235372
[2-propan-2-yloxy-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105301408

Frequently Asked Questions

What is the IUPAC name of 1-(1-propoxyethyl)-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-(1-propoxyethyl)-2-(trifluoromethoxy)benzene (CID 67813246) is 1-(1-propoxyethyl)-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(1-propoxyethyl)-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(1-propoxyethyl)-2-(trifluoromethoxy)benzene is CCCOC(C)c1ccccc1OC(F)(F)F.
What is the InChIKey of 1-(1-propoxyethyl)-2-(trifluoromethoxy)benzene?
The InChIKey is JFMVWNJRDAULFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-3-8-16-9(2)10-6-4-5-7-11(10)17-12(13,14)15/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 1-(1-propoxyethyl)-2-(trifluoromethoxy)benzene?
1-(1-propoxyethyl)-2-(trifluoromethoxy)benzene has a molecular weight of 248.24 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propoxyethyl)-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 67813246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).