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

C10H14F2O5 — CID 66039794

IUPAC2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid
SMILESO=C(O)C(F)(F)C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C10H14F2O5/c11-10(12,7(13)14)8(15)1-3-9(4-2-8)16-5-6-17-9/h15H,1-6H2,(H,13,14)
InChIKeyJUTLDDCJLISGCL-UHFFFAOYSA-N
MW252.21 g/mol
LogP0.75
Rot. Bonds2

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

2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid (PubChem CID 66039794) has the molecular formula C10H14F2O5 and a molecular weight of 252.21 g/mol. Its IUPAC name is 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid
PubChem CID66039794
Molecular FormulaC10H14F2O5
Molecular Weight252.21 g/mol
Exact Mass252.08
IUPAC Name2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid
SMILESO=C(O)C(F)(F)C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C10H14F2O5/c11-10(12,7(13)14)8(15)1-3-9(4-2-8)16-5-6-17-9/h15H,1-6H2,(H,13,14)
InChIKeyJUTLDDCJLISGCL-UHFFFAOYSA-N
XLogP0.75
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid (CID 66039794) is 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid is O=C(O)C(F)(F)C1(O)CCC2(CC1)OCCO2.
What is the InChIKey of 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid?
The InChIKey is JUTLDDCJLISGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O5/c11-10(12,7(13)14)8(15)1-3-9(4-2-8)16-5-6-17-9/h15H,1-6H2,(H,13,14).
What are the key properties of 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid?
2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid has a molecular weight of 252.21 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid is sourced from PubChem (CID 66039794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).