(E,3R)-5-[3-(trifluoromethyl)phenyl]pent-4-ene-1,3-diol

C12H13F3O2 — CID 130467338

IUPAC(E,3R)-5-[3-(trifluoromethyl)phenyl]pent-4-ene-1,3-diol
SMILESOCC[C@@H](O)/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H13F3O2/c13-12(14,15)10-3-1-2-9(8-10)4-5-11(17)6-7-16/h1-5,8,11,16-17H,6-7H2/b5-4+/t11-/m0/s1
InChIKeyXHPATJJCCLDWFR-ZWNMCFTASA-N
MW246.23 g/mol
LogP2.46
Rot. Bonds4

About (E,3R)-5-[3-(trifluoromethyl)phenyl]pent-4-ene-1,3-diol

(E,3R)-5-[3-(trifluoromethyl)phenyl]pent-4-ene-1,3-diol (PubChem CID 130467338) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is (E,3R)-5-[3-(trifluoromethyl)phenyl]pent-4-ene-1,3-diol.

Molecular Properties

Compound Name(E,3R)-5-[3-(trifluoromethyl)phenyl]pent-4-ene-1,3-diol
PubChem CID130467338
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name(E,3R)-5-[3-(trifluoromethyl)phenyl]pent-4-ene-1,3-diol
SMILESOCC[C@@H](O)/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H13F3O2/c13-12(14,15)10-3-1-2-9(8-10)4-5-11(17)6-7-16/h1-5,8,11,16-17H,6-7H2/b5-4+/t11-/m0/s1
InChIKeyXHPATJJCCLDWFR-ZWNMCFTASA-N
XLogP2.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 141309127
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5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid
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(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
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CID 122476067
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(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride
CID 5375564
[5-methyl-2-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol
CID 54227597
1-[3-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]sulfonylprop-1-enyl]-3-(trifluoromethyl)benzene
CID 173033091
3-[3-(trifluoromethyl)phenyl]propan-1-ol
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CID 177498684
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CID 71608776

Frequently Asked Questions

What is the IUPAC name of (E,3R)-5-[3-(trifluoromethyl)phenyl]pent-4-ene-1,3-diol?
The IUPAC name of (E,3R)-5-[3-(trifluoromethyl)phenyl]pent-4-ene-1,3-diol (CID 130467338) is (E,3R)-5-[3-(trifluoromethyl)phenyl]pent-4-ene-1,3-diol.
What is the SMILES notation for (E,3R)-5-[3-(trifluoromethyl)phenyl]pent-4-ene-1,3-diol?
The canonical SMILES for (E,3R)-5-[3-(trifluoromethyl)phenyl]pent-4-ene-1,3-diol is OCC[C@@H](O)/C=C/c1cccc(C(F)(F)F)c1.
What is the InChIKey of (E,3R)-5-[3-(trifluoromethyl)phenyl]pent-4-ene-1,3-diol?
The InChIKey is XHPATJJCCLDWFR-ZWNMCFTASA-N. The full InChI is InChI=1S/C12H13F3O2/c13-12(14,15)10-3-1-2-9(8-10)4-5-11(17)6-7-16/h1-5,8,11,16-17H,6-7H2/b5-4+/t11-/m0/s1.
What are the key properties of (E,3R)-5-[3-(trifluoromethyl)phenyl]pent-4-ene-1,3-diol?
(E,3R)-5-[3-(trifluoromethyl)phenyl]pent-4-ene-1,3-diol has a molecular weight of 246.23 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-5-[3-(trifluoromethyl)phenyl]pent-4-ene-1,3-diol is sourced from PubChem (CID 130467338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).