1-(2-methoxypentyl)-2-(trifluoromethyl)benzene

C13H17F3O — CID 154551789

IUPAC1-(2-methoxypentyl)-2-(trifluoromethyl)benzene
SMILESCCCC(Cc1ccccc1C(F)(F)F)OC
InChIInChI=1S/C13H17F3O/c1-3-6-11(17-2)9-10-7-4-5-8-12(10)13(14,15)16/h4-5,7-8,11H,3,6,9H2,1-2H3
InChIKeyPTJVVXKSIKWWPX-UHFFFAOYSA-N
MW246.27 g/mol
LogP4.06
Rot. Bonds5

About 1-(2-methoxypentyl)-2-(trifluoromethyl)benzene

1-(2-methoxypentyl)-2-(trifluoromethyl)benzene (PubChem CID 154551789) has the molecular formula C13H17F3O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(2-methoxypentyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2-methoxypentyl)-2-(trifluoromethyl)benzene
PubChem CID154551789
Molecular FormulaC13H17F3O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1-(2-methoxypentyl)-2-(trifluoromethyl)benzene
SMILESCCCC(Cc1ccccc1C(F)(F)F)OC
InChIInChI=1S/C13H17F3O/c1-3-6-11(17-2)9-10-7-4-5-8-12(10)13(14,15)16/h4-5,7-8,11H,3,6,9H2,1-2H3
InChIKeyPTJVVXKSIKWWPX-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-one
CID 116708193
(2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
CID 95029864
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethanol
CID 25233734
1-[2-(trifluoromethyl)phenyl]butane-2,3-diol
CID 175401448
1-(2-bromo-3,3-dimethylbutyl)-2-(trifluoromethyl)benzene
CID 63530722
ethyl 2-cyano-3-[2-(trifluoromethyl)phenyl]propanoate
CID 82350243
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
N-ethyl-2-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 83046654
(3S)-N-methyl-3-[2-(trifluoromethyl)phenoxy]hexan-1-amine
CID 11565843
methyl 2-oxo-3-[2-(trifluoromethyl)phenyl]propanoate
CID 18370722
N-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine
CID 64504717

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypentyl)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(2-methoxypentyl)-2-(trifluoromethyl)benzene (CID 154551789) is 1-(2-methoxypentyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2-methoxypentyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2-methoxypentyl)-2-(trifluoromethyl)benzene is CCCC(Cc1ccccc1C(F)(F)F)OC.
What is the InChIKey of 1-(2-methoxypentyl)-2-(trifluoromethyl)benzene?
The InChIKey is PTJVVXKSIKWWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O/c1-3-6-11(17-2)9-10-7-4-5-8-12(10)13(14,15)16/h4-5,7-8,11H,3,6,9H2,1-2H3.
What are the key properties of 1-(2-methoxypentyl)-2-(trifluoromethyl)benzene?
1-(2-methoxypentyl)-2-(trifluoromethyl)benzene has a molecular weight of 246.27 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypentyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 154551789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).