2,2-difluoro-2-(oxolan-3-yl)acetic acid

C6H8F2O3 — CID 84717108

IUPAC2,2-difluoro-2-(oxolan-3-yl)acetic acid
SMILESO=C(O)C(F)(F)C1CCOC1
InChIInChI=1S/C6H8F2O3/c7-6(8,5(9)10)4-1-2-11-3-4/h4H,1-3H2,(H,9,10)
InChIKeyZYFGRURIQBHJFR-UHFFFAOYSA-N
MW166.12 g/mol
LogP0.74
Rot. Bonds2

About 2,2-difluoro-2-(oxolan-3-yl)acetic acid

2,2-difluoro-2-(oxolan-3-yl)acetic acid (PubChem CID 84717108) has the molecular formula C6H8F2O3 and a molecular weight of 166.12 g/mol. Its IUPAC name is 2,2-difluoro-2-(oxolan-3-yl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(oxolan-3-yl)acetic acid
PubChem CID84717108
Molecular FormulaC6H8F2O3
Molecular Weight166.12 g/mol
Exact Mass166.04
IUPAC Name2,2-difluoro-2-(oxolan-3-yl)acetic acid
SMILESO=C(O)C(F)(F)C1CCOC1
InChIInChI=1S/C6H8F2O3/c7-6(8,5(9)10)4-1-2-11-3-4/h4H,1-3H2,(H,9,10)
InChIKeyZYFGRURIQBHJFR-UHFFFAOYSA-N
XLogP0.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Oxooxolan-3-yl)acetic acid
CID 14084412
2-(Oxolan-3-yl)propanoic acid
CID 79418350
2-(Oxolan-3-yl)acetic acid
CID 4244905
2-((3R)-oxolan-3-yl)acetic acid
CID 14962792
(S)-2-(Tetrahydrofuran-3-YL)acetic acid
CID 14962793
2,2-Difluoro-2-(oxan-4-yl)acetic acid
CID 57429867
2-Fluoro-2-(oxolan-3-yl)acetic acid
CID 81358717
Sodium 2,2-difluoro-2-(oxolan-3-yl)acetate
CID 165671477
Difluoro-(tetrahydro-furan-3-yl)-acetic acid ethyl ester
CID 101183778
Ethyl 3,3,3-trifluoro-2-(oxolan-3-yl)propanoate
CID 135038789
2-(5-Oxooxolan-3-yl)acetic acid
CID 21927831
2-(5-Oxooxolan-3-yl)ethyl 2,2-difluoropropanoate
CID 58177616

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(oxolan-3-yl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(oxolan-3-yl)acetic acid (CID 84717108) is 2,2-difluoro-2-(oxolan-3-yl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(oxolan-3-yl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(oxolan-3-yl)acetic acid is O=C(O)C(F)(F)C1CCOC1.
What is the InChIKey of 2,2-difluoro-2-(oxolan-3-yl)acetic acid?
The InChIKey is ZYFGRURIQBHJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O3/c7-6(8,5(9)10)4-1-2-11-3-4/h4H,1-3H2,(H,9,10).
What are the key properties of 2,2-difluoro-2-(oxolan-3-yl)acetic acid?
2,2-difluoro-2-(oxolan-3-yl)acetic acid has a molecular weight of 166.12 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(oxolan-3-yl)acetic acid is sourced from PubChem (CID 84717108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).