(2R,4R)-2-ethoxy-4-[(1R)-1-phenylethoxy]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran

C16H19F3O3 — CID 11099115

IUPAC(2R,4R)-2-ethoxy-4-[(1R)-1-phenylethoxy]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran
SMILESCCO[C@H]1C[C@@H](O[C@H](C)c2ccccc2)C=C(C(F)(F)F)O1
InChIInChI=1S/C16H19F3O3/c1-3-20-15-10-13(9-14(22-15)16(17,18)19)21-11(2)12-7-5-4-6-8-12/h4-9,11,13,15H,3,10H2,1-2H3/t11-,13+,15-/m1/s1
InChIKeyUSZISFZRMFPZHU-OSAQELSMSA-N
MW316.32 g/mol
LogP4.36
Rot. Bonds5

About (2R,4R)-2-ethoxy-4-[(1R)-1-phenylethoxy]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran

(2R,4R)-2-ethoxy-4-[(1R)-1-phenylethoxy]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran (PubChem CID 11099115) has the molecular formula C16H19F3O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is (2R,4R)-2-ethoxy-4-[(1R)-1-phenylethoxy]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,4R)-2-ethoxy-4-[(1R)-1-phenylethoxy]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran
PubChem CID11099115
Molecular FormulaC16H19F3O3
Molecular Weight316.32 g/mol
Exact Mass316.13
IUPAC Name(2R,4R)-2-ethoxy-4-[(1R)-1-phenylethoxy]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran
SMILESCCO[C@H]1C[C@@H](O[C@H](C)c2ccccc2)C=C(C(F)(F)F)O1
InChIInChI=1S/C16H19F3O3/c1-3-20-15-10-13(9-14(22-15)16(17,18)19)21-11(2)12-7-5-4-6-8-12/h4-9,11,13,15H,3,10H2,1-2H3/t11-,13+,15-/m1/s1
InChIKeyUSZISFZRMFPZHU-OSAQELSMSA-N
XLogP4.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,4R)-2-ethoxy-4-[(1R)-1-phenylethoxy]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran with MolForge

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Related Compounds

N-[(2S,4R)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide
CID 11546049
4-(2,4-dimethylphenyl)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran
CID 102163966
1-(3-chloro-2-propoxycyclobutyl)oxyethylbenzene
CID 114018902
1-(3-bromo-2,2-diethylcyclobutyl)oxyethylbenzene
CID 66344244
1-(2-ethoxy-6-phenyl-3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one
CID 10588393
3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 114987233
2-ethoxy-6-methyl-4-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 11402786
4-ethoxy-2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine
CID 89097657
1-[(2S,4S)-4-ethoxy-2-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone
CID 102437142
(2R,3aR,4R,6S)-2,6-diethoxy-4-phenyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-b]oxazine
CID 15399965
(1-ethoxy-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)benzene
CID 132503955
1-(trifluoromethoxy)propylbenzene
CID 174717015

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-ethoxy-4-[(1R)-1-phenylethoxy]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran?
The IUPAC name of (2R,4R)-2-ethoxy-4-[(1R)-1-phenylethoxy]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran (CID 11099115) is (2R,4R)-2-ethoxy-4-[(1R)-1-phenylethoxy]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2R,4R)-2-ethoxy-4-[(1R)-1-phenylethoxy]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for (2R,4R)-2-ethoxy-4-[(1R)-1-phenylethoxy]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran is CCO[C@H]1C[C@@H](O[C@H](C)c2ccccc2)C=C(C(F)(F)F)O1.
What is the InChIKey of (2R,4R)-2-ethoxy-4-[(1R)-1-phenylethoxy]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran?
The InChIKey is USZISFZRMFPZHU-OSAQELSMSA-N. The full InChI is InChI=1S/C16H19F3O3/c1-3-20-15-10-13(9-14(22-15)16(17,18)19)21-11(2)12-7-5-4-6-8-12/h4-9,11,13,15H,3,10H2,1-2H3/t11-,13+,15-/m1/s1.
What are the key properties of (2R,4R)-2-ethoxy-4-[(1R)-1-phenylethoxy]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran?
(2R,4R)-2-ethoxy-4-[(1R)-1-phenylethoxy]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran has a molecular weight of 316.32 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-ethoxy-4-[(1R)-1-phenylethoxy]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 11099115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).