phenyl-[(2S,3S)-2-phenyl-3-(trifluoromethyl)oxan-2-yl]methanone

C19H17F3O2 — CID 102435692

IUPACphenyl-[(2S,3S)-2-phenyl-3-(trifluoromethyl)oxan-2-yl]methanone
SMILESO=C(c1ccccc1)[C@]1(c2ccccc2)OCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C19H17F3O2/c20-19(21,22)16-12-7-13-24-18(16,15-10-5-2-6-11-15)17(23)14-8-3-1-4-9-14/h1-6,8-11,16H,7,12-13H2/t16-,18+/m0/s1
InChIKeySXMDXCJQMKYTKT-FUHWJXTLSA-N
MW334.34 g/mol
LogP4.75
Rot. Bonds3

About phenyl-[(2S,3S)-2-phenyl-3-(trifluoromethyl)oxan-2-yl]methanone

phenyl-[(2S,3S)-2-phenyl-3-(trifluoromethyl)oxan-2-yl]methanone (PubChem CID 102435692) has the molecular formula C19H17F3O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is phenyl-[(2S,3S)-2-phenyl-3-(trifluoromethyl)oxan-2-yl]methanone.

Molecular Properties

Compound Namephenyl-[(2S,3S)-2-phenyl-3-(trifluoromethyl)oxan-2-yl]methanone
PubChem CID102435692
Molecular FormulaC19H17F3O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Namephenyl-[(2S,3S)-2-phenyl-3-(trifluoromethyl)oxan-2-yl]methanone
SMILESO=C(c1ccccc1)[C@]1(c2ccccc2)OCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C19H17F3O2/c20-19(21,22)16-12-7-13-24-18(16,15-10-5-2-6-11-15)17(23)14-8-3-1-4-9-14/h1-6,8-11,16H,7,12-13H2/t16-,18+/m0/s1
InChIKeySXMDXCJQMKYTKT-FUHWJXTLSA-N
XLogP4.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-[(2S,3S)-2-phenyl-3-(trifluoromethyl)oxan-2-yl]methanone?
The IUPAC name of phenyl-[(2S,3S)-2-phenyl-3-(trifluoromethyl)oxan-2-yl]methanone (CID 102435692) is phenyl-[(2S,3S)-2-phenyl-3-(trifluoromethyl)oxan-2-yl]methanone.
What is the SMILES notation for phenyl-[(2S,3S)-2-phenyl-3-(trifluoromethyl)oxan-2-yl]methanone?
The canonical SMILES for phenyl-[(2S,3S)-2-phenyl-3-(trifluoromethyl)oxan-2-yl]methanone is O=C(c1ccccc1)[C@]1(c2ccccc2)OCCC[C@@H]1C(F)(F)F.
What is the InChIKey of phenyl-[(2S,3S)-2-phenyl-3-(trifluoromethyl)oxan-2-yl]methanone?
The InChIKey is SXMDXCJQMKYTKT-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H17F3O2/c20-19(21,22)16-12-7-13-24-18(16,15-10-5-2-6-11-15)17(23)14-8-3-1-4-9-14/h1-6,8-11,16H,7,12-13H2/t16-,18+/m0/s1.
What are the key properties of phenyl-[(2S,3S)-2-phenyl-3-(trifluoromethyl)oxan-2-yl]methanone?
phenyl-[(2S,3S)-2-phenyl-3-(trifluoromethyl)oxan-2-yl]methanone has a molecular weight of 334.34 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(2S,3S)-2-phenyl-3-(trifluoromethyl)oxan-2-yl]methanone is sourced from PubChem (CID 102435692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).