1-(triethoxymethyl)-3-(trifluoromethyl)benzene

C14H19F3O3 — CID 4301406

IUPAC1-(triethoxymethyl)-3-(trifluoromethyl)benzene
SMILESCCOC(OCC)(OCC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3O3/c1-4-18-14(19-5-2,20-6-3)12-9-7-8-11(10-12)13(15,16)17/h7-10H,4-6H2,1-3H3
InChIKeyIZFKYARLKCYNHM-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.93
Rot. Bonds7

About 1-(triethoxymethyl)-3-(trifluoromethyl)benzene

1-(triethoxymethyl)-3-(trifluoromethyl)benzene (PubChem CID 4301406) has the molecular formula C14H19F3O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-(triethoxymethyl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(triethoxymethyl)-3-(trifluoromethyl)benzene
PubChem CID4301406
Molecular FormulaC14H19F3O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC Name1-(triethoxymethyl)-3-(trifluoromethyl)benzene
SMILESCCOC(OCC)(OCC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3O3/c1-4-18-14(19-5-2,20-6-3)12-9-7-8-11(10-12)13(15,16)17/h7-10H,4-6H2,1-3H3
InChIKeyIZFKYARLKCYNHM-UHFFFAOYSA-N
XLogP3.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(triethoxymethyl)-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(triethoxymethyl)-3-(trifluoromethyl)benzene (CID 4301406) is 1-(triethoxymethyl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(triethoxymethyl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(triethoxymethyl)-3-(trifluoromethyl)benzene is CCOC(OCC)(OCC)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(triethoxymethyl)-3-(trifluoromethyl)benzene?
The InChIKey is IZFKYARLKCYNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O3/c1-4-18-14(19-5-2,20-6-3)12-9-7-8-11(10-12)13(15,16)17/h7-10H,4-6H2,1-3H3.
What are the key properties of 1-(triethoxymethyl)-3-(trifluoromethyl)benzene?
1-(triethoxymethyl)-3-(trifluoromethyl)benzene has a molecular weight of 292.30 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(triethoxymethyl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 4301406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).