2,2-difluoro-2-(4-methoxyoxan-4-yl)acetic acid

C8H12F2O4 — CID 136575791

IUPAC2,2-difluoro-2-(4-methoxyoxan-4-yl)acetic acid
SMILESCOC1(C(F)(F)C(=O)O)CCOCC1
InChIInChI=1S/C8H12F2O4/c1-13-7(2-4-14-5-3-7)8(9,10)6(11)12/h2-5H2,1H3,(H,11,12)
InChIKeyZFCMUAMIUZHXTA-UHFFFAOYSA-N
MW210.18 g/mol
LogP0.90
Rot. Bonds3

About 2,2-difluoro-2-(4-methoxyoxan-4-yl)acetic acid

2,2-difluoro-2-(4-methoxyoxan-4-yl)acetic acid (PubChem CID 136575791) has the molecular formula C8H12F2O4 and a molecular weight of 210.18 g/mol. Its IUPAC name is 2,2-difluoro-2-(4-methoxyoxan-4-yl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(4-methoxyoxan-4-yl)acetic acid
PubChem CID136575791
Molecular FormulaC8H12F2O4
Molecular Weight210.18 g/mol
Exact Mass210.07
IUPAC Name2,2-difluoro-2-(4-methoxyoxan-4-yl)acetic acid
SMILESCOC1(C(F)(F)C(=O)O)CCOCC1
InChIInChI=1S/C8H12F2O4/c1-13-7(2-4-14-5-3-7)8(9,10)6(11)12/h2-5H2,1H3,(H,11,12)
InChIKeyZFCMUAMIUZHXTA-UHFFFAOYSA-N
XLogP0.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-difluoro-2-(4-methoxyoxan-4-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(4-methoxyoxan-4-yl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(4-methoxyoxan-4-yl)acetic acid (CID 136575791) is 2,2-difluoro-2-(4-methoxyoxan-4-yl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(4-methoxyoxan-4-yl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(4-methoxyoxan-4-yl)acetic acid is COC1(C(F)(F)C(=O)O)CCOCC1.
What is the InChIKey of 2,2-difluoro-2-(4-methoxyoxan-4-yl)acetic acid?
The InChIKey is ZFCMUAMIUZHXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O4/c1-13-7(2-4-14-5-3-7)8(9,10)6(11)12/h2-5H2,1H3,(H,11,12).
What are the key properties of 2,2-difluoro-2-(4-methoxyoxan-4-yl)acetic acid?
2,2-difluoro-2-(4-methoxyoxan-4-yl)acetic acid has a molecular weight of 210.18 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(4-methoxyoxan-4-yl)acetic acid is sourced from PubChem (CID 136575791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).