(2R,4R,6S)-2-ethenyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol

C16H17F3O2 — CID 101353755

IUPAC(2R,4R,6S)-2-ethenyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol
SMILESC=C[C@H]1C[C@@H](O)C[C@@H](/C=C/c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C16H17F3O2/c1-2-14-9-13(20)10-15(21-14)8-5-11-3-6-12(7-4-11)16(17,18)19/h2-8,13-15,20H,1,9-10H2/b8-5+/t13-,14+,15-/m1/s1
InChIKeyWCUNBHPCKGMJDM-JXZNYKSLSA-N
MW298.30 g/mol
LogP3.81
Rot. Bonds3

About (2R,4R,6S)-2-ethenyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol

(2R,4R,6S)-2-ethenyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol (PubChem CID 101353755) has the molecular formula C16H17F3O2 and a molecular weight of 298.30 g/mol. Its IUPAC name is (2R,4R,6S)-2-ethenyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol.

Molecular Properties

Compound Name(2R,4R,6S)-2-ethenyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol
PubChem CID101353755
Molecular FormulaC16H17F3O2
Molecular Weight298.30 g/mol
Exact Mass298.12
IUPAC Name(2R,4R,6S)-2-ethenyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol
SMILESC=C[C@H]1C[C@@H](O)C[C@@H](/C=C/c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C16H17F3O2/c1-2-14-9-13(20)10-15(21-14)8-5-11-3-6-12(7-4-11)16(17,18)19/h2-8,13-15,20H,1,9-10H2/b8-5+/t13-,14+,15-/m1/s1
InChIKeyWCUNBHPCKGMJDM-JXZNYKSLSA-N
XLogP3.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,6S)-2-ethenyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol?
The IUPAC name of (2R,4R,6S)-2-ethenyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol (CID 101353755) is (2R,4R,6S)-2-ethenyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol.
What is the SMILES notation for (2R,4R,6S)-2-ethenyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol?
The canonical SMILES for (2R,4R,6S)-2-ethenyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol is C=C[C@H]1C[C@@H](O)C[C@@H](/C=C/c2ccc(C(F)(F)F)cc2)O1.
What is the InChIKey of (2R,4R,6S)-2-ethenyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol?
The InChIKey is WCUNBHPCKGMJDM-JXZNYKSLSA-N. The full InChI is InChI=1S/C16H17F3O2/c1-2-14-9-13(20)10-15(21-14)8-5-11-3-6-12(7-4-11)16(17,18)19/h2-8,13-15,20H,1,9-10H2/b8-5+/t13-,14+,15-/m1/s1.
What are the key properties of (2R,4R,6S)-2-ethenyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol?
(2R,4R,6S)-2-ethenyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol has a molecular weight of 298.30 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6S)-2-ethenyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol is sourced from PubChem (CID 101353755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).