[(2S,3R)-3-ethoxy-1,1,1-trifluoro-3-phenylpropan-2-yl]benzene

C17H17F3O — CID 134838848

IUPAC[(2S,3R)-3-ethoxy-1,1,1-trifluoro-3-phenylpropan-2-yl]benzene
SMILESCCO[C@@H](c1ccccc1)[C@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H17F3O/c1-2-21-16(14-11-7-4-8-12-14)15(17(18,19)20)13-9-5-3-6-10-13/h3-12,15-16H,2H2,1H3/t15-,16-/m0/s1
InChIKeyRPURTBHVZGMFIV-HOTGVXAUSA-N
MW294.32 g/mol
LogP5.11
Rot. Bonds5

About [(2S,3R)-3-ethoxy-1,1,1-trifluoro-3-phenylpropan-2-yl]benzene

[(2S,3R)-3-ethoxy-1,1,1-trifluoro-3-phenylpropan-2-yl]benzene (PubChem CID 134838848) has the molecular formula C17H17F3O and a molecular weight of 294.32 g/mol. Its IUPAC name is [(2S,3R)-3-ethoxy-1,1,1-trifluoro-3-phenylpropan-2-yl]benzene.

Molecular Properties

Compound Name[(2S,3R)-3-ethoxy-1,1,1-trifluoro-3-phenylpropan-2-yl]benzene
PubChem CID134838848
Molecular FormulaC17H17F3O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name[(2S,3R)-3-ethoxy-1,1,1-trifluoro-3-phenylpropan-2-yl]benzene
SMILESCCO[C@@H](c1ccccc1)[C@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H17F3O/c1-2-21-16(14-11-7-4-8-12-14)15(17(18,19)20)13-9-5-3-6-10-13/h3-12,15-16H,2H2,1H3/t15-,16-/m0/s1
InChIKeyRPURTBHVZGMFIV-HOTGVXAUSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.32
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dibenzyl ether
CID 7657
Benzyl octyl ether
CID 347508
Bis(1-phenylethyl) ether
CID 62342
Isoamyl benzyl ether
CID 31227
2,2-Diphenyltetrahydrofuran
CID 70175
Methyl trityl ether
CID 136388
Benzene, (1-ethoxyethyl)-
CID 18693
Ethyl trityl ether
CID 294563
2H-Pyran, 3,6-dihydro-4-methyl-2-phenyl-
CID 108443
2H-Pyran, tetrahydro-4-methylene-2-phenyl-
CID 108444
2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4S)-rel-
CID 15640305
2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4R)-rel-
CID 15640306

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-ethoxy-1,1,1-trifluoro-3-phenylpropan-2-yl]benzene?
The IUPAC name of [(2S,3R)-3-ethoxy-1,1,1-trifluoro-3-phenylpropan-2-yl]benzene (CID 134838848) is [(2S,3R)-3-ethoxy-1,1,1-trifluoro-3-phenylpropan-2-yl]benzene.
What is the SMILES notation for [(2S,3R)-3-ethoxy-1,1,1-trifluoro-3-phenylpropan-2-yl]benzene?
The canonical SMILES for [(2S,3R)-3-ethoxy-1,1,1-trifluoro-3-phenylpropan-2-yl]benzene is CCO[C@@H](c1ccccc1)[C@H](c1ccccc1)C(F)(F)F.
What is the InChIKey of [(2S,3R)-3-ethoxy-1,1,1-trifluoro-3-phenylpropan-2-yl]benzene?
The InChIKey is RPURTBHVZGMFIV-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H17F3O/c1-2-21-16(14-11-7-4-8-12-14)15(17(18,19)20)13-9-5-3-6-10-13/h3-12,15-16H,2H2,1H3/t15-,16-/m0/s1.
What are the key properties of [(2S,3R)-3-ethoxy-1,1,1-trifluoro-3-phenylpropan-2-yl]benzene?
[(2S,3R)-3-ethoxy-1,1,1-trifluoro-3-phenylpropan-2-yl]benzene has a molecular weight of 294.32 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-ethoxy-1,1,1-trifluoro-3-phenylpropan-2-yl]benzene is sourced from PubChem (CID 134838848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).