1-[[methoxy(prop-1-en-2-yloxy)methoxy]methyl]-4-(trifluoromethyl)benzene

C13H15F3O3 — CID 101022276

IUPAC1-[[methoxy(prop-1-en-2-yloxy)methoxy]methyl]-4-(trifluoromethyl)benzene
SMILESC=C(C)OC(OC)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3O3/c1-9(2)19-12(17-3)18-8-10-4-6-11(7-5-10)13(14,15)16/h4-7,12H,1,8H2,2-3H3
InChIKeySBGYWSWSVDHLPM-UHFFFAOYSA-N
MW276.25 g/mol
LogP3.70
Rot. Bonds6

About 1-[[methoxy(prop-1-en-2-yloxy)methoxy]methyl]-4-(trifluoromethyl)benzene

1-[[methoxy(prop-1-en-2-yloxy)methoxy]methyl]-4-(trifluoromethyl)benzene (PubChem CID 101022276) has the molecular formula C13H15F3O3 and a molecular weight of 276.25 g/mol. Its IUPAC name is 1-[[methoxy(prop-1-en-2-yloxy)methoxy]methyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[[methoxy(prop-1-en-2-yloxy)methoxy]methyl]-4-(trifluoromethyl)benzene
PubChem CID101022276
Molecular FormulaC13H15F3O3
Molecular Weight276.25 g/mol
Exact Mass276.10
IUPAC Name1-[[methoxy(prop-1-en-2-yloxy)methoxy]methyl]-4-(trifluoromethyl)benzene
SMILESC=C(C)OC(OC)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3O3/c1-9(2)19-12(17-3)18-8-10-4-6-11(7-5-10)13(14,15)16/h4-7,12H,1,8H2,2-3H3
InChIKeySBGYWSWSVDHLPM-UHFFFAOYSA-N
XLogP3.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[[methoxy(prop-1-en-2-yloxy)methoxy]methyl]-4-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol
CID 162576270
2-[[4-(trifluoromethyl)phenyl]methoxy]butan-1-ol
CID 142936430
[4-(trifluoromethyl)phenyl]methoxyazanium
CID 3744378
(1R,2R)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanol
CID 12060228
(2R)-4-methyl-3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 66767433
2,4-dimethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]pentan-3-imine
CID 145436363
N-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 62337631
[4-(trifluoromethyl)phenyl]methyl 2-aminobutanoate
CID 174480491
1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62606366
1-(4-methoxybutoxymethyl)-4-(trifluoromethyl)benzene
CID 162563157
propan-2-yl 3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoate
CID 146593714
4-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-en-2-amine
CID 105004659

Frequently Asked Questions

What is the IUPAC name of 1-[[methoxy(prop-1-en-2-yloxy)methoxy]methyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[[methoxy(prop-1-en-2-yloxy)methoxy]methyl]-4-(trifluoromethyl)benzene (CID 101022276) is 1-[[methoxy(prop-1-en-2-yloxy)methoxy]methyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[[methoxy(prop-1-en-2-yloxy)methoxy]methyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[[methoxy(prop-1-en-2-yloxy)methoxy]methyl]-4-(trifluoromethyl)benzene is C=C(C)OC(OC)OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[[methoxy(prop-1-en-2-yloxy)methoxy]methyl]-4-(trifluoromethyl)benzene?
The InChIKey is SBGYWSWSVDHLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O3/c1-9(2)19-12(17-3)18-8-10-4-6-11(7-5-10)13(14,15)16/h4-7,12H,1,8H2,2-3H3.
What are the key properties of 1-[[methoxy(prop-1-en-2-yloxy)methoxy]methyl]-4-(trifluoromethyl)benzene?
1-[[methoxy(prop-1-en-2-yloxy)methoxy]methyl]-4-(trifluoromethyl)benzene has a molecular weight of 276.25 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methoxy(prop-1-en-2-yloxy)methoxy]methyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 101022276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).