[(2R)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enyl] acetate

C14H16F2O3 — CID 11043813

IUPAC[(2R)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enyl] acetate
SMILESC=C(C[C@H](CO)COC(C)=O)c1ccc(F)cc1F
InChIInChI=1S/C14H16F2O3/c1-9(5-11(7-17)8-19-10(2)18)13-4-3-12(15)6-14(13)16/h3-4,6,11,17H,1,5,7-8H2,2H3/t11-/m1/s1
InChIKeyXILJVAFOAYTQOP-LLVKDONJSA-N
MW270.27 g/mol
LogP2.54
Rot. Bonds6

About [(2R)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enyl] acetate

[(2R)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enyl] acetate (PubChem CID 11043813) has the molecular formula C14H16F2O3 and a molecular weight of 270.27 g/mol. Its IUPAC name is [(2R)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enyl] acetate.

Molecular Properties

Compound Name[(2R)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enyl] acetate
PubChem CID11043813
Molecular FormulaC14H16F2O3
Molecular Weight270.27 g/mol
Exact Mass270.11
IUPAC Name[(2R)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enyl] acetate
SMILESC=C(C[C@H](CO)COC(C)=O)c1ccc(F)cc1F
InChIInChI=1S/C14H16F2O3/c1-9(5-11(7-17)8-19-10(2)18)13-4-3-12(15)6-14(13)16/h3-4,6,11,17H,1,5,7-8H2,2H3/t11-/m1/s1
InChIKeyXILJVAFOAYTQOP-LLVKDONJSA-N
XLogP2.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(acetyloxymethyl)-4-(2,4-difluorophenyl)pent-4-enyl] acetate
CID 15238264
1-O-ethyl 3-O-methyl 2-[2-(2,4-difluorophenyl)prop-2-enyl]propanedioate
CID 121307550
3-(2,4-difluorophenyl)but-3-en-2-ol
CID 23289047
1-but-1-en-2-yl-2,4-difluorobenzene
CID 57095622
2,4-difluoro-1-prop-1-en-2-ylbenzene
CID 10877333
2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
CID 114618824
2-methoxyethyl 2,4-difluorobenzoate
CID 78830751
ethyl 2-(2,4-difluorophenyl)-2-oxoacetate
CID 24722254
(E)-5-(2,4-difluorophenyl)-3-methylidenehex-4-en-2-one
CID 166086953
2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 93032270
diethyl (2S,3S)-2-[2-(2-fluoro-4-methylphenyl)prop-2-enyl]-3-hydroxybutanedioate
CID 163497072
4-(2,4-difluorophenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414908

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enyl] acetate?
The IUPAC name of [(2R)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enyl] acetate (CID 11043813) is [(2R)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enyl] acetate.
What is the SMILES notation for [(2R)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enyl] acetate?
The canonical SMILES for [(2R)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enyl] acetate is C=C(C[C@H](CO)COC(C)=O)c1ccc(F)cc1F.
What is the InChIKey of [(2R)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enyl] acetate?
The InChIKey is XILJVAFOAYTQOP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16F2O3/c1-9(5-11(7-17)8-19-10(2)18)13-4-3-12(15)6-14(13)16/h3-4,6,11,17H,1,5,7-8H2,2H3/t11-/m1/s1.
What are the key properties of [(2R)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enyl] acetate?
[(2R)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enyl] acetate has a molecular weight of 270.27 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enyl] acetate is sourced from PubChem (CID 11043813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).