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

C16H14F6O4 — CID 102437142

IUPAC1-[(2S,4S)-4-ethoxy-2-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone
SMILESCCO[C@H]1C[C@@H](Oc2ccccc2)OC(C(F)(F)F)=C1C(=O)C(F)(F)F
InChIInChI=1S/C16H14F6O4/c1-2-24-10-8-11(25-9-6-4-3-5-7-9)26-14(16(20,21)22)12(10)13(23)15(17,18)19/h3-7,10-11H,2,8H2,1H3/t10-,11-/m0/s1
InChIKeyOXQQHTCRQBUOSZ-QWRGUYRKSA-N
MW384.27 g/mol
LogP4.16
Rot. Bonds5

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

1-[(2S,4S)-4-ethoxy-2-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone (PubChem CID 102437142) has the molecular formula C16H14F6O4 and a molecular weight of 384.27 g/mol. Its IUPAC name is 1-[(2S,4S)-4-ethoxy-2-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[(2S,4S)-4-ethoxy-2-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone
PubChem CID102437142
Molecular FormulaC16H14F6O4
Molecular Weight384.27 g/mol
Exact Mass384.08
IUPAC Name1-[(2S,4S)-4-ethoxy-2-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone
SMILESCCO[C@H]1C[C@@H](Oc2ccccc2)OC(C(F)(F)F)=C1C(=O)C(F)(F)F
InChIInChI=1S/C16H14F6O4/c1-2-24-10-8-11(25-9-6-4-3-5-7-9)26-14(16(20,21)22)12(10)13(23)15(17,18)19/h3-7,10-11H,2,8H2,1H3/t10-,11-/m0/s1
InChIKeyOXQQHTCRQBUOSZ-QWRGUYRKSA-N
XLogP4.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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

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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
2-Methyl-3-phenoxy-3-(trifluoromethoxy)propanoic acid
CID 69123430
2-ethoxy-4-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran
CID 13418454
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-[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,4R)-4-ethoxy-2-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone
CID 102437143

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-ethoxy-2-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[(2S,4S)-4-ethoxy-2-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone (CID 102437142) is 1-[(2S,4S)-4-ethoxy-2-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[(2S,4S)-4-ethoxy-2-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[(2S,4S)-4-ethoxy-2-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone is CCO[C@H]1C[C@@H](Oc2ccccc2)OC(C(F)(F)F)=C1C(=O)C(F)(F)F.
What is the InChIKey of 1-[(2S,4S)-4-ethoxy-2-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone?
The InChIKey is OXQQHTCRQBUOSZ-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H14F6O4/c1-2-24-10-8-11(25-9-6-4-3-5-7-9)26-14(16(20,21)22)12(10)13(23)15(17,18)19/h3-7,10-11H,2,8H2,1H3/t10-,11-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-ethoxy-2-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone?
1-[(2S,4S)-4-ethoxy-2-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone has a molecular weight of 384.27 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-ethoxy-2-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 102437142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).