(2S,4R,5Z)-5-benzylidene-2-methyl-4-phenyl-2-(trifluoromethyl)oxolane

C19H17F3O — CID 132534251

IUPAC(2S,4R,5Z)-5-benzylidene-2-methyl-4-phenyl-2-(trifluoromethyl)oxolane
SMILESC[C@@]1(C(F)(F)F)C[C@H](c2ccccc2)/C(=C/c2ccccc2)O1
InChIInChI=1S/C19H17F3O/c1-18(19(20,21)22)13-16(15-10-6-3-7-11-15)17(23-18)12-14-8-4-2-5-9-14/h2-12,16H,13H2,1H3/b17-12-/t16-,18+/m1/s1
InChIKeyOQPYLITWXGACOQ-AHEUBGHVSA-N
MW318.34 g/mol
LogP5.55
Rot. Bonds2

About (2S,4R,5Z)-5-benzylidene-2-methyl-4-phenyl-2-(trifluoromethyl)oxolane

(2S,4R,5Z)-5-benzylidene-2-methyl-4-phenyl-2-(trifluoromethyl)oxolane (PubChem CID 132534251) has the molecular formula C19H17F3O and a molecular weight of 318.34 g/mol. Its IUPAC name is (2S,4R,5Z)-5-benzylidene-2-methyl-4-phenyl-2-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name(2S,4R,5Z)-5-benzylidene-2-methyl-4-phenyl-2-(trifluoromethyl)oxolane
PubChem CID132534251
Molecular FormulaC19H17F3O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name(2S,4R,5Z)-5-benzylidene-2-methyl-4-phenyl-2-(trifluoromethyl)oxolane
SMILESC[C@@]1(C(F)(F)F)C[C@H](c2ccccc2)/C(=C/c2ccccc2)O1
InChIInChI=1S/C19H17F3O/c1-18(19(20,21)22)13-16(15-10-6-3-7-11-15)17(23-18)12-14-8-4-2-5-9-14/h2-12,16H,13H2,1H3/b17-12-/t16-,18+/m1/s1
InChIKeyOQPYLITWXGACOQ-AHEUBGHVSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.34
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,5Z)-5-benzylidene-2-methyl-4-phenyl-2-(trifluoromethyl)oxolane?
The IUPAC name of (2S,4R,5Z)-5-benzylidene-2-methyl-4-phenyl-2-(trifluoromethyl)oxolane (CID 132534251) is (2S,4R,5Z)-5-benzylidene-2-methyl-4-phenyl-2-(trifluoromethyl)oxolane.
What is the SMILES notation for (2S,4R,5Z)-5-benzylidene-2-methyl-4-phenyl-2-(trifluoromethyl)oxolane?
The canonical SMILES for (2S,4R,5Z)-5-benzylidene-2-methyl-4-phenyl-2-(trifluoromethyl)oxolane is C[C@@]1(C(F)(F)F)C[C@H](c2ccccc2)/C(=C/c2ccccc2)O1.
What is the InChIKey of (2S,4R,5Z)-5-benzylidene-2-methyl-4-phenyl-2-(trifluoromethyl)oxolane?
The InChIKey is OQPYLITWXGACOQ-AHEUBGHVSA-N. The full InChI is InChI=1S/C19H17F3O/c1-18(19(20,21)22)13-16(15-10-6-3-7-11-15)17(23-18)12-14-8-4-2-5-9-14/h2-12,16H,13H2,1H3/b17-12-/t16-,18+/m1/s1.
What are the key properties of (2S,4R,5Z)-5-benzylidene-2-methyl-4-phenyl-2-(trifluoromethyl)oxolane?
(2S,4R,5Z)-5-benzylidene-2-methyl-4-phenyl-2-(trifluoromethyl)oxolane has a molecular weight of 318.34 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5Z)-5-benzylidene-2-methyl-4-phenyl-2-(trifluoromethyl)oxolane is sourced from PubChem (CID 132534251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).