2-ethoxy-4-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran

C14H15F3O3 — CID 13418454

IUPAC2-ethoxy-4-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran
SMILESCCOC1CC(Oc2ccccc2)C=C(C(F)(F)F)O1
InChIInChI=1S/C14H15F3O3/c1-2-18-13-9-11(8-12(20-13)14(15,16)17)19-10-6-4-3-5-7-10/h3-8,11,13H,2,9H2,1H3
InChIKeyICPWASTXHONAKD-UHFFFAOYSA-N
MW288.26 g/mol
LogP3.66
Rot. Bonds4

About 2-ethoxy-4-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran

2-ethoxy-4-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran (PubChem CID 13418454) has the molecular formula C14H15F3O3 and a molecular weight of 288.26 g/mol. Its IUPAC name is 2-ethoxy-4-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-ethoxy-4-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran
PubChem CID13418454
Molecular FormulaC14H15F3O3
Molecular Weight288.26 g/mol
Exact Mass288.10
IUPAC Name2-ethoxy-4-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran
SMILESCCOC1CC(Oc2ccccc2)C=C(C(F)(F)F)O1
InChIInChI=1S/C14H15F3O3/c1-2-18-13-9-11(8-12(20-13)14(15,16)17)19-10-6-4-3-5-7-10/h3-8,11,13H,2,9H2,1H3
InChIKeyICPWASTXHONAKD-UHFFFAOYSA-N
XLogP3.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Fluorophenetole
CID 68018
2-Fluorophenetole
CID 136291
Benzene, (1-ethoxyethoxy)-
CID 95485
2H-Pyran, tetrahydro-2-phenoxy-
CID 107240
1,4-Bis(2,2,2-trifluoroethoxy)benzene
CID 737156
(1-Methylethoxy)benzene
CID 75966
(Diethoxymethoxy)benzene
CID 84440
1-Ethoxy-3-fluorobenzene
CID 136301
1-Butoxy-2,3-Difluorobenzene
CID 2782939
Benzene, (2,2-dimethoxyethoxy)-
CID 105897
(2,2-Diethoxyethoxy)benzene
CID 96328
Benzene, butoxymethoxy-
CID 147152

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 2-ethoxy-4-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran (CID 13418454) is 2-ethoxy-4-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-ethoxy-4-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-ethoxy-4-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran is CCOC1CC(Oc2ccccc2)C=C(C(F)(F)F)O1.
What is the InChIKey of 2-ethoxy-4-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran?
The InChIKey is ICPWASTXHONAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O3/c1-2-18-13-9-11(8-12(20-13)14(15,16)17)19-10-6-4-3-5-7-10/h3-8,11,13H,2,9H2,1H3.
What are the key properties of 2-ethoxy-4-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran?
2-ethoxy-4-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran has a molecular weight of 288.26 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 13418454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).