4-ethoxy-2,2-diphenoxy-6-(trifluoromethyl)-3,4-dihydropyran

C20H19F3O4 — CID 102163390

IUPAC4-ethoxy-2,2-diphenoxy-6-(trifluoromethyl)-3,4-dihydropyran
SMILESCCOC1C=C(C(F)(F)F)OC(Oc2ccccc2)(Oc2ccccc2)C1
InChIInChI=1S/C20H19F3O4/c1-2-24-17-13-18(20(21,22)23)27-19(14-17,25-15-9-5-3-6-10-15)26-16-11-7-4-8-12-16/h3-13,17H,2,14H2,1H3
InChIKeyBBRVFHPZCVEIOH-UHFFFAOYSA-N
MW380.36 g/mol
LogP5.07
Rot. Bonds6

About 4-ethoxy-2,2-diphenoxy-6-(trifluoromethyl)-3,4-dihydropyran

4-ethoxy-2,2-diphenoxy-6-(trifluoromethyl)-3,4-dihydropyran (PubChem CID 102163390) has the molecular formula C20H19F3O4 and a molecular weight of 380.36 g/mol. Its IUPAC name is 4-ethoxy-2,2-diphenoxy-6-(trifluoromethyl)-3,4-dihydropyran.

Molecular Properties

Compound Name4-ethoxy-2,2-diphenoxy-6-(trifluoromethyl)-3,4-dihydropyran
PubChem CID102163390
Molecular FormulaC20H19F3O4
Molecular Weight380.36 g/mol
Exact Mass380.12
IUPAC Name4-ethoxy-2,2-diphenoxy-6-(trifluoromethyl)-3,4-dihydropyran
SMILESCCOC1C=C(C(F)(F)F)OC(Oc2ccccc2)(Oc2ccccc2)C1
InChIInChI=1S/C20H19F3O4/c1-2-24-17-13-18(20(21,22)23)27-19(14-17,25-15-9-5-3-6-10-15)26-16-11-7-4-8-12-16/h3-13,17H,2,14H2,1H3
InChIKeyBBRVFHPZCVEIOH-UHFFFAOYSA-N
XLogP5.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.36
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 4578030
1,3-Diphenoxypropane
CID 136562
1,4-Diphenoxybutane
CID 137944
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CID 21883856
1-Butoxy-4-phenoxybenzene
CID 44562812
1-Phenoxy-4-(3-prop-2-enoxypropoxy)benzene
CID 14353116
Bis(phenoxyethoxy)methane
CID 83787
1,6-Diphenoxyhexane
CID 139096
3-(2-Methoxypropan-2-ylperoxy)propoxybenzene
CID 10060198
Phenyl diglycol carbonate
CID 251348
1-Phenoxy-4-(3-propoxypropoxy)benzene
CID 14353104
1-Phenoxy-4-(3-propoxybutoxy)benzene
CID 14353135

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,2-diphenoxy-6-(trifluoromethyl)-3,4-dihydropyran?
The IUPAC name of 4-ethoxy-2,2-diphenoxy-6-(trifluoromethyl)-3,4-dihydropyran (CID 102163390) is 4-ethoxy-2,2-diphenoxy-6-(trifluoromethyl)-3,4-dihydropyran.
What is the SMILES notation for 4-ethoxy-2,2-diphenoxy-6-(trifluoromethyl)-3,4-dihydropyran?
The canonical SMILES for 4-ethoxy-2,2-diphenoxy-6-(trifluoromethyl)-3,4-dihydropyran is CCOC1C=C(C(F)(F)F)OC(Oc2ccccc2)(Oc2ccccc2)C1.
What is the InChIKey of 4-ethoxy-2,2-diphenoxy-6-(trifluoromethyl)-3,4-dihydropyran?
The InChIKey is BBRVFHPZCVEIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3O4/c1-2-24-17-13-18(20(21,22)23)27-19(14-17,25-15-9-5-3-6-10-15)26-16-11-7-4-8-12-16/h3-13,17H,2,14H2,1H3.
What are the key properties of 4-ethoxy-2,2-diphenoxy-6-(trifluoromethyl)-3,4-dihydropyran?
4-ethoxy-2,2-diphenoxy-6-(trifluoromethyl)-3,4-dihydropyran has a molecular weight of 380.36 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,2-diphenoxy-6-(trifluoromethyl)-3,4-dihydropyran is sourced from PubChem (CID 102163390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).