3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypentanoic acid

C10H16F2O5 — CID 69121348

IUPAC3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypentanoic acid
SMILESCCC(O)(C1COC(C)(C)O1)C(F)(F)C(=O)O
InChIInChI=1S/C10H16F2O5/c1-4-9(15,10(11,12)7(13)14)6-5-16-8(2,3)17-6/h6,15H,4-5H2,1-3H3,(H,13,14)
InChIKeyLEIJNIWABKZSIA-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.00
Rot. Bonds4

About 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypentanoic acid

3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypentanoic acid (PubChem CID 69121348) has the molecular formula C10H16F2O5 and a molecular weight of 254.23 g/mol. Its IUPAC name is 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypentanoic acid.

Molecular Properties

Compound Name3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypentanoic acid
PubChem CID69121348
Molecular FormulaC10H16F2O5
Molecular Weight254.23 g/mol
Exact Mass254.10
IUPAC Name3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypentanoic acid
SMILESCCC(O)(C1COC(C)(C)O1)C(F)(F)C(=O)O
InChIInChI=1S/C10H16F2O5/c1-4-9(15,10(11,12)7(13)14)6-5-16-8(2,3)17-6/h6,15H,4-5H2,1-3H3,(H,13,14)
InChIKeyLEIJNIWABKZSIA-UHFFFAOYSA-N
XLogP1.00
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypentanoic acid?
The IUPAC name of 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypentanoic acid (CID 69121348) is 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypentanoic acid.
What is the SMILES notation for 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypentanoic acid?
The canonical SMILES for 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypentanoic acid is CCC(O)(C1COC(C)(C)O1)C(F)(F)C(=O)O.
What is the InChIKey of 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypentanoic acid?
The InChIKey is LEIJNIWABKZSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O5/c1-4-9(15,10(11,12)7(13)14)6-5-16-8(2,3)17-6/h6,15H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypentanoic acid?
3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypentanoic acid has a molecular weight of 254.23 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypentanoic acid is sourced from PubChem (CID 69121348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).