1,2-dimethoxy-4-[1-(2,2,2-trifluoroethoxy)propyl]benzene

C13H17F3O3 — CID 11680696

IUPAC1,2-dimethoxy-4-[1-(2,2,2-trifluoroethoxy)propyl]benzene
SMILESCCC(OCC(F)(F)F)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H17F3O3/c1-4-10(19-8-13(14,15)16)9-5-6-11(17-2)12(7-9)18-3/h5-7,10H,4,8H2,1-3H3
InChIKeyWMBOETRQHFNBAL-UHFFFAOYSA-N
MW278.27 g/mol
LogP3.73
Rot. Bonds6

About 1,2-dimethoxy-4-[1-(2,2,2-trifluoroethoxy)propyl]benzene

1,2-dimethoxy-4-[1-(2,2,2-trifluoroethoxy)propyl]benzene (PubChem CID 11680696) has the molecular formula C13H17F3O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 1,2-dimethoxy-4-[1-(2,2,2-trifluoroethoxy)propyl]benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-[1-(2,2,2-trifluoroethoxy)propyl]benzene
PubChem CID11680696
Molecular FormulaC13H17F3O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name1,2-dimethoxy-4-[1-(2,2,2-trifluoroethoxy)propyl]benzene
SMILESCCC(OCC(F)(F)F)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H17F3O3/c1-4-10(19-8-13(14,15)16)9-5-6-11(17-2)12(7-9)18-3/h5-7,10H,4,8H2,1-3H3
InChIKeyWMBOETRQHFNBAL-UHFFFAOYSA-N
XLogP3.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene
CID 6424872
N-[1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propan-1-amine
CID 43279496
2-(3,4-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 70589172
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
(1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 63364673
3-(3,4-dimethoxyphenyl)-5,5,5-trifluoropentan-1-amine
CID 82534545
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
2-(4-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 62109907
1-[(1S)-1-(3,4-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171163032
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-[1-(2,2,2-trifluoroethoxy)propyl]benzene?
The IUPAC name of 1,2-dimethoxy-4-[1-(2,2,2-trifluoroethoxy)propyl]benzene (CID 11680696) is 1,2-dimethoxy-4-[1-(2,2,2-trifluoroethoxy)propyl]benzene.
What is the SMILES notation for 1,2-dimethoxy-4-[1-(2,2,2-trifluoroethoxy)propyl]benzene?
The canonical SMILES for 1,2-dimethoxy-4-[1-(2,2,2-trifluoroethoxy)propyl]benzene is CCC(OCC(F)(F)F)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1,2-dimethoxy-4-[1-(2,2,2-trifluoroethoxy)propyl]benzene?
The InChIKey is WMBOETRQHFNBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O3/c1-4-10(19-8-13(14,15)16)9-5-6-11(17-2)12(7-9)18-3/h5-7,10H,4,8H2,1-3H3.
What are the key properties of 1,2-dimethoxy-4-[1-(2,2,2-trifluoroethoxy)propyl]benzene?
1,2-dimethoxy-4-[1-(2,2,2-trifluoroethoxy)propyl]benzene has a molecular weight of 278.27 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-[1-(2,2,2-trifluoroethoxy)propyl]benzene is sourced from PubChem (CID 11680696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).