4,4-difluoro-5-hydroxypentanoate

C5H7F2O3- — CID 154359726

IUPAC4,4-difluoro-5-hydroxypentanoate
SMILESO=C([O-])CCC(F)(F)CO
InChIInChI=1S/C5H8F2O3/c6-5(7,3-8)2-1-4(9)10/h8H,1-3H2,(H,9,10)/p-1
InChIKeyGXJYWXPIMJPTMC-UHFFFAOYSA-M
MW153.10 g/mol
LogP-0.86
Rot. Bonds4

About 4,4-difluoro-5-hydroxypentanoate

4,4-difluoro-5-hydroxypentanoate (PubChem CID 154359726) has the molecular formula C5H7F2O3- and a molecular weight of 153.10 g/mol. Its IUPAC name is 4,4-difluoro-5-hydroxypentanoate.

Molecular Properties

Compound Name4,4-difluoro-5-hydroxypentanoate
PubChem CID154359726
Molecular FormulaC5H7F2O3-
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name4,4-difluoro-5-hydroxypentanoate
SMILESO=C([O-])CCC(F)(F)CO
InChIInChI=1S/C5H8F2O3/c6-5(7,3-8)2-1-4(9)10/h8H,1-3H2,(H,9,10)/p-1
InChIKeyGXJYWXPIMJPTMC-UHFFFAOYSA-M
XLogP-0.86
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-5-hydroxypentanoate?
The IUPAC name of 4,4-difluoro-5-hydroxypentanoate (CID 154359726) is 4,4-difluoro-5-hydroxypentanoate.
What is the SMILES notation for 4,4-difluoro-5-hydroxypentanoate?
The canonical SMILES for 4,4-difluoro-5-hydroxypentanoate is O=C([O-])CCC(F)(F)CO.
What is the InChIKey of 4,4-difluoro-5-hydroxypentanoate?
The InChIKey is GXJYWXPIMJPTMC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8F2O3/c6-5(7,3-8)2-1-4(9)10/h8H,1-3H2,(H,9,10)/p-1.
What are the key properties of 4,4-difluoro-5-hydroxypentanoate?
4,4-difluoro-5-hydroxypentanoate has a molecular weight of 153.10 g/mol, XLogP of -0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-5-hydroxypentanoate is sourced from PubChem (CID 154359726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).