(2S,5S)-2-methyl-2-phenyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane

C20H21F3O — CID 45277706

IUPAC(2S,5S)-2-methyl-2-phenyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane
SMILESC[C@H](c1ccc(C(F)(F)F)cc1)[C@@H]1CC[C@@](C)(c2ccccc2)O1
InChIInChI=1S/C20H21F3O/c1-14(15-8-10-17(11-9-15)20(21,22)23)18-12-13-19(2,24-18)16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3/t14-,18+,19+/m1/s1
InChIKeyQDBZCJOEOXUDLO-CCKFTAQKSA-N
MW334.38 g/mol
LogP5.90
Rot. Bonds3

About (2S,5S)-2-methyl-2-phenyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane

(2S,5S)-2-methyl-2-phenyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane (PubChem CID 45277706) has the molecular formula C20H21F3O and a molecular weight of 334.38 g/mol. Its IUPAC name is (2S,5S)-2-methyl-2-phenyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane.

Molecular Properties

Compound Name(2S,5S)-2-methyl-2-phenyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane
PubChem CID45277706
Molecular FormulaC20H21F3O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name(2S,5S)-2-methyl-2-phenyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane
SMILESC[C@H](c1ccc(C(F)(F)F)cc1)[C@@H]1CC[C@@](C)(c2ccccc2)O1
InChIInChI=1S/C20H21F3O/c1-14(15-8-10-17(11-9-15)20(21,22)23)18-12-13-19(2,24-18)16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3/t14-,18+,19+/m1/s1
InChIKeyQDBZCJOEOXUDLO-CCKFTAQKSA-N
XLogP5.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.38
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S,5S)-2-methyl-2-phenyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-methyl-2-phenyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane?
The IUPAC name of (2S,5S)-2-methyl-2-phenyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane (CID 45277706) is (2S,5S)-2-methyl-2-phenyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane.
What is the SMILES notation for (2S,5S)-2-methyl-2-phenyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane?
The canonical SMILES for (2S,5S)-2-methyl-2-phenyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane is C[C@H](c1ccc(C(F)(F)F)cc1)[C@@H]1CC[C@@](C)(c2ccccc2)O1.
What is the InChIKey of (2S,5S)-2-methyl-2-phenyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane?
The InChIKey is QDBZCJOEOXUDLO-CCKFTAQKSA-N. The full InChI is InChI=1S/C20H21F3O/c1-14(15-8-10-17(11-9-15)20(21,22)23)18-12-13-19(2,24-18)16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3/t14-,18+,19+/m1/s1.
What are the key properties of (2S,5S)-2-methyl-2-phenyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane?
(2S,5S)-2-methyl-2-phenyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane has a molecular weight of 334.38 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-methyl-2-phenyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane is sourced from PubChem (CID 45277706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).