2,2,2-trifluoro-1-[2-methoxy-2-methyl-4-phenoxy-6-(trifluoromethyl)-3,4-dihydropyran-5-yl]ethanone

C16H14F6O4 — CID 101186346

IUPAC2,2,2-trifluoro-1-[2-methoxy-2-methyl-4-phenoxy-6-(trifluoromethyl)-3,4-dihydropyran-5-yl]ethanone
SMILESCOC1(C)CC(Oc2ccccc2)C(C(=O)C(F)(F)F)=C(C(F)(F)F)O1
InChIInChI=1S/C16H14F6O4/c1-14(24-2)8-10(25-9-6-4-3-5-7-9)11(12(23)15(17,18)19)13(26-14)16(20,21)22/h3-7,10H,8H2,1-2H3
InChIKeyVBIRZLJGHZMBQE-UHFFFAOYSA-N
MW384.27 g/mol
LogP4.16
Rot. Bonds4

About 2,2,2-trifluoro-1-[2-methoxy-2-methyl-4-phenoxy-6-(trifluoromethyl)-3,4-dihydropyran-5-yl]ethanone

2,2,2-trifluoro-1-[2-methoxy-2-methyl-4-phenoxy-6-(trifluoromethyl)-3,4-dihydropyran-5-yl]ethanone (PubChem CID 101186346) has the molecular formula C16H14F6O4 and a molecular weight of 384.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-methoxy-2-methyl-4-phenoxy-6-(trifluoromethyl)-3,4-dihydropyran-5-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-methoxy-2-methyl-4-phenoxy-6-(trifluoromethyl)-3,4-dihydropyran-5-yl]ethanone
PubChem CID101186346
Molecular FormulaC16H14F6O4
Molecular Weight384.27 g/mol
Exact Mass384.08
IUPAC Name2,2,2-trifluoro-1-[2-methoxy-2-methyl-4-phenoxy-6-(trifluoromethyl)-3,4-dihydropyran-5-yl]ethanone
SMILESCOC1(C)CC(Oc2ccccc2)C(C(=O)C(F)(F)F)=C(C(F)(F)F)O1
InChIInChI=1S/C16H14F6O4/c1-14(24-2)8-10(25-9-6-4-3-5-7-9)11(12(23)15(17,18)19)13(26-14)16(20,21)22/h3-7,10H,8H2,1-2H3
InChIKeyVBIRZLJGHZMBQE-UHFFFAOYSA-N
XLogP4.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-1-[2-methoxy-2-methyl-4-phenoxy-6-(trifluoromethyl)-3,4-dihydropyran-5-yl]ethanone with MolForge

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Related Compounds

Phenyl-2,2-difluoro-3-(methacryloyloxy)pentanoate
CID 58070661
(2,4-Difluorophenyl) 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate
CID 68211718
4,4-Difluoro-3-(4-methylphenoxy)cyclohexan-1-one
CID 134216247
[4-[4-[1-(2,2,3,3,4,4,4-Heptafluorobutanoyloxy)ethoxy]phenyl]-4-oxobutan-2-yl] 2,2,3,3,4,4,4-heptafluorobutanoate
CID 145778321
1-[2,4-diphenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone
CID 13418464
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-[(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
[2,2-Dimethyl-6-(2-oxo-2-phenoxyethyl)-1,3-dioxan-4-yl]methyl 2,2-difluoropropanoate
CID 161698630

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-methoxy-2-methyl-4-phenoxy-6-(trifluoromethyl)-3,4-dihydropyran-5-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-methoxy-2-methyl-4-phenoxy-6-(trifluoromethyl)-3,4-dihydropyran-5-yl]ethanone (CID 101186346) is 2,2,2-trifluoro-1-[2-methoxy-2-methyl-4-phenoxy-6-(trifluoromethyl)-3,4-dihydropyran-5-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-methoxy-2-methyl-4-phenoxy-6-(trifluoromethyl)-3,4-dihydropyran-5-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-methoxy-2-methyl-4-phenoxy-6-(trifluoromethyl)-3,4-dihydropyran-5-yl]ethanone is COC1(C)CC(Oc2ccccc2)C(C(=O)C(F)(F)F)=C(C(F)(F)F)O1.
What is the InChIKey of 2,2,2-trifluoro-1-[2-methoxy-2-methyl-4-phenoxy-6-(trifluoromethyl)-3,4-dihydropyran-5-yl]ethanone?
The InChIKey is VBIRZLJGHZMBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F6O4/c1-14(24-2)8-10(25-9-6-4-3-5-7-9)11(12(23)15(17,18)19)13(26-14)16(20,21)22/h3-7,10H,8H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-[2-methoxy-2-methyl-4-phenoxy-6-(trifluoromethyl)-3,4-dihydropyran-5-yl]ethanone?
2,2,2-trifluoro-1-[2-methoxy-2-methyl-4-phenoxy-6-(trifluoromethyl)-3,4-dihydropyran-5-yl]ethanone has a molecular weight of 384.27 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-methoxy-2-methyl-4-phenoxy-6-(trifluoromethyl)-3,4-dihydropyran-5-yl]ethanone is sourced from PubChem (CID 101186346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).