1-[2,4-diphenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone

C20H14F6O4 — CID 13418464

IUPAC1-[2,4-diphenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone
SMILESO=C(C1=C(C(F)(F)F)OC(Oc2ccccc2)CC1Oc1ccccc1)C(F)(F)F
InChIInChI=1S/C20H14F6O4/c21-19(22,23)17(27)16-14(28-12-7-3-1-4-8-12)11-15(30-18(16)20(24,25)26)29-13-9-5-2-6-10-13/h1-10,14-15H,11H2
InChIKeyJJXKSNHYNHRZHH-UHFFFAOYSA-N
MW432.32 g/mol
LogP5.21
Rot. Bonds5

About 1-[2,4-diphenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone

1-[2,4-diphenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone (PubChem CID 13418464) has the molecular formula C20H14F6O4 and a molecular weight of 432.32 g/mol. Its IUPAC name is 1-[2,4-diphenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2,4-diphenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone
PubChem CID13418464
Molecular FormulaC20H14F6O4
Molecular Weight432.32 g/mol
Exact Mass432.08
IUPAC Name1-[2,4-diphenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone
SMILESO=C(C1=C(C(F)(F)F)OC(Oc2ccccc2)CC1Oc1ccccc1)C(F)(F)F
InChIInChI=1S/C20H14F6O4/c21-19(22,23)17(27)16-14(28-12-7-3-1-4-8-12)11-15(30-18(16)20(24,25)26)29-13-9-5-2-6-10-13/h1-10,14-15H,11H2
InChIKeyJJXKSNHYNHRZHH-UHFFFAOYSA-N
XLogP5.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.32
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2,4-diphenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone with MolForge

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Related Compounds

2,2-Difluoro-3,3-diphenoxypropanoic acid
CID 70393438
1-[4-ethoxy-2-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone
CID 15122003
1-[4-Ethoxy-2,2-diphenoxy-6-(trifluoromethyl)-3,4-dihydropyran-5-yl]-2,2,2-trifluoroethanone
CID 15122007
1-[2,4-bis(4-methoxyphenoxy)-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone
CID 15122008
1-[2,4-bis(4-methylphenoxy)-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone
CID 15122009
1-[2,4-bis(4-bromophenoxy)-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone
CID 15122010
2,2,2-Trifluoro-1-[2-methoxy-2-methyl-4-phenoxy-6-(trifluoromethyl)-3,4-dihydropyran-5-yl]ethanone
CID 101186346
1-[(2S,4S)-4-ethoxy-2-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone
CID 102437142
1-[(2S,4R)-4-ethoxy-2-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone
CID 102437143
Carbanide;bis(1-(2,4-difluorobenzene-3-id-1-yl)-3-(phenoxymethoxy)propan-1-one);titanium(4+)
CID 57752301
prop-2-enoxymethyl (E)-4-phenoxy-2-(1-phenoxyethyl)pent-2-enoate
CID 141616746
1-Phenoxyethyl 2-methylidene-3-phenoxybutanoate
CID 142730936

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-diphenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2,4-diphenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone (CID 13418464) is 1-[2,4-diphenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2,4-diphenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2,4-diphenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone is O=C(C1=C(C(F)(F)F)OC(Oc2ccccc2)CC1Oc1ccccc1)C(F)(F)F.
What is the InChIKey of 1-[2,4-diphenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone?
The InChIKey is JJXKSNHYNHRZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6O4/c21-19(22,23)17(27)16-14(28-12-7-3-1-4-8-12)11-15(30-18(16)20(24,25)26)29-13-9-5-2-6-10-13/h1-10,14-15H,11H2.
What are the key properties of 1-[2,4-diphenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone?
1-[2,4-diphenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone has a molecular weight of 432.32 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-diphenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 13418464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).