2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid

C10H15FO5 — CID 79366989

IUPAC2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid
SMILESO=C(O)C(F)C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C10H15FO5/c11-7(8(12)13)9(14)1-3-10(4-2-9)15-5-6-16-10/h7,14H,1-6H2,(H,12,13)
InChIKeyMSIWNGVXFKHETR-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.46
Rot. Bonds2

About 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid

2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid (PubChem CID 79366989) has the molecular formula C10H15FO5 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid
PubChem CID79366989
Molecular FormulaC10H15FO5
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid
SMILESO=C(O)C(F)C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C10H15FO5/c11-7(8(12)13)9(14)1-3-10(4-2-9)15-5-6-16-10/h7,14H,1-6H2,(H,12,13)
InChIKeyMSIWNGVXFKHETR-UHFFFAOYSA-N
XLogP0.46
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid (CID 79366989) is 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid is O=C(O)C(F)C1(O)CCC2(CC1)OCCO2.
What is the InChIKey of 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid?
The InChIKey is MSIWNGVXFKHETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO5/c11-7(8(12)13)9(14)1-3-10(4-2-9)15-5-6-16-10/h7,14H,1-6H2,(H,12,13).
What are the key properties of 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid?
2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid has a molecular weight of 234.22 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid is sourced from PubChem (CID 79366989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).