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

C16H18F2O4 — CID 15238264

IUPAC[2-(acetyloxymethyl)-4-(2,4-difluorophenyl)pent-4-enyl] acetate
SMILESC=C(CC(COC(C)=O)COC(C)=O)c1ccc(F)cc1F
InChIInChI=1S/C16H18F2O4/c1-10(15-5-4-14(17)7-16(15)18)6-13(8-21-11(2)19)9-22-12(3)20/h4-5,7,13H,1,6,8-9H2,2-3H3
InChIKeyVXNHZGWNMOYMOB-UHFFFAOYSA-N
MW312.31 g/mol
LogP3.11
Rot. Bonds7

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

[2-(acetyloxymethyl)-4-(2,4-difluorophenyl)pent-4-enyl] acetate (PubChem CID 15238264) has the molecular formula C16H18F2O4 and a molecular weight of 312.31 g/mol. Its IUPAC name is [2-(acetyloxymethyl)-4-(2,4-difluorophenyl)pent-4-enyl] acetate.

Molecular Properties

Compound Name[2-(acetyloxymethyl)-4-(2,4-difluorophenyl)pent-4-enyl] acetate
PubChem CID15238264
Molecular FormulaC16H18F2O4
Molecular Weight312.31 g/mol
Exact Mass312.12
IUPAC Name[2-(acetyloxymethyl)-4-(2,4-difluorophenyl)pent-4-enyl] acetate
SMILESC=C(CC(COC(C)=O)COC(C)=O)c1ccc(F)cc1F
InChIInChI=1S/C16H18F2O4/c1-10(15-5-4-14(17)7-16(15)18)6-13(8-21-11(2)19)9-22-12(3)20/h4-5,7,13H,1,6,8-9H2,2-3H3
InChIKeyVXNHZGWNMOYMOB-UHFFFAOYSA-N
XLogP3.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(acetyloxymethyl)-4-(2,4-difluorophenyl)pent-4-enyl] acetate?
The IUPAC name of [2-(acetyloxymethyl)-4-(2,4-difluorophenyl)pent-4-enyl] acetate (CID 15238264) is [2-(acetyloxymethyl)-4-(2,4-difluorophenyl)pent-4-enyl] acetate.
What is the SMILES notation for [2-(acetyloxymethyl)-4-(2,4-difluorophenyl)pent-4-enyl] acetate?
The canonical SMILES for [2-(acetyloxymethyl)-4-(2,4-difluorophenyl)pent-4-enyl] acetate is C=C(CC(COC(C)=O)COC(C)=O)c1ccc(F)cc1F.
What is the InChIKey of [2-(acetyloxymethyl)-4-(2,4-difluorophenyl)pent-4-enyl] acetate?
The InChIKey is VXNHZGWNMOYMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2O4/c1-10(15-5-4-14(17)7-16(15)18)6-13(8-21-11(2)19)9-22-12(3)20/h4-5,7,13H,1,6,8-9H2,2-3H3.
What are the key properties of [2-(acetyloxymethyl)-4-(2,4-difluorophenyl)pent-4-enyl] acetate?
[2-(acetyloxymethyl)-4-(2,4-difluorophenyl)pent-4-enyl] acetate has a molecular weight of 312.31 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(acetyloxymethyl)-4-(2,4-difluorophenyl)pent-4-enyl] acetate is sourced from PubChem (CID 15238264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).