(4R)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolan-2-ol

C13H13F3O2 — CID 102486493

IUPAC(4R)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolan-2-ol
SMILESOC1C[C@H](/C=C/c2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C13H13F3O2/c14-13(15,16)11-5-3-9(4-6-11)1-2-10-7-12(17)18-8-10/h1-6,10,12,17H,7-8H2/b2-1+/t10-,12?/m0/s1
InChIKeyHEBBCRJNPGMBJV-CAMUUFDLSA-N
MW258.24 g/mol
LogP3.07
Rot. Bonds2

About (4R)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolan-2-ol

(4R)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolan-2-ol (PubChem CID 102486493) has the molecular formula C13H13F3O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is (4R)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolan-2-ol.

Molecular Properties

Compound Name(4R)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolan-2-ol
PubChem CID102486493
Molecular FormulaC13H13F3O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name(4R)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolan-2-ol
SMILESOC1C[C@H](/C=C/c2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C13H13F3O2/c14-13(15,16)11-5-3-9(4-6-11)1-2-10-7-12(17)18-8-10/h1-6,10,12,17H,7-8H2/b2-1+/t10-,12?/m0/s1
InChIKeyHEBBCRJNPGMBJV-CAMUUFDLSA-N
XLogP3.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-[(E)-2-(4-fluorophenyl)ethenyl]oxolan-2-ol
CID 25104829
(4S)-4-[(E)-2-(4-phenylphenyl)ethenyl]oxolan-2-ol
CID 102486491
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxirane
CID 59001960
1-[(E)-2-[(3R)-3-ethenylcyclopentyl]ethenyl]-4-(trifluoromethyl)benzene
CID 166936181
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
1-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidin-1-yl]prop-2-en-1-one
CID 171093201
[(1S,2R,5S)-2-ethenyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentyl]oxy-trimethylsilane
CID 15418783
S-[2-[(1E,3E)-4-[4-(trifluoromethyl)phenyl]buta-1,3-dienyl]-1,3-dioxan-5-yl] ethanethioate
CID 18363337
1-[(1R,2R)-2-[(E)-2-phenylethenyl]cyclopropyl]-4-(trifluoromethyl)benzene
CID 166071874
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine
CID 113443116
1-[(3R)-3-[2-[4-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 171093114
5-methylsulfanyl-2-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1,3-dioxane
CID 20692988

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolan-2-ol?
The IUPAC name of (4R)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolan-2-ol (CID 102486493) is (4R)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolan-2-ol.
What is the SMILES notation for (4R)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolan-2-ol?
The canonical SMILES for (4R)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolan-2-ol is OC1C[C@H](/C=C/c2ccc(C(F)(F)F)cc2)CO1.
What is the InChIKey of (4R)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolan-2-ol?
The InChIKey is HEBBCRJNPGMBJV-CAMUUFDLSA-N. The full InChI is InChI=1S/C13H13F3O2/c14-13(15,16)11-5-3-9(4-6-11)1-2-10-7-12(17)18-8-10/h1-6,10,12,17H,7-8H2/b2-1+/t10-,12?/m0/s1.
What are the key properties of (4R)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolan-2-ol?
(4R)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolan-2-ol has a molecular weight of 258.24 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolan-2-ol is sourced from PubChem (CID 102486493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).