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

C7H10F2O3 — CID 105438514

IUPAC2,2-difluoro-3-(oxolan-3-yl)propanoic acid
SMILESO=C(O)C(F)(F)CC1CCOC1
InChIInChI=1S/C7H10F2O3/c8-7(9,6(10)11)3-5-1-2-12-4-5/h5H,1-4H2,(H,10,11)
InChIKeyDPFFJLRGRUUSIX-UHFFFAOYSA-N
MW180.15 g/mol
LogP1.13
Rot. Bonds3

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

2,2-difluoro-3-(oxolan-3-yl)propanoic acid (PubChem CID 105438514) has the molecular formula C7H10F2O3 and a molecular weight of 180.15 g/mol. Its IUPAC name is 2,2-difluoro-3-(oxolan-3-yl)propanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-(oxolan-3-yl)propanoic acid
PubChem CID105438514
Molecular FormulaC7H10F2O3
Molecular Weight180.15 g/mol
Exact Mass180.06
IUPAC Name2,2-difluoro-3-(oxolan-3-yl)propanoic acid
SMILESO=C(O)C(F)(F)CC1CCOC1
InChIInChI=1S/C7H10F2O3/c8-7(9,6(10)11)3-5-1-2-12-4-5/h5H,1-4H2,(H,10,11)
InChIKeyDPFFJLRGRUUSIX-UHFFFAOYSA-N
XLogP1.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.15
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2,2-difluoro-3-(oxan-4-yl)propanoate
CID 105461465
3-(3,3,3-trifluoropropylsulfanylmethyl)oxolane
CID 46836222
(3S)-3-(2,2-dimethylpropyl)oxolane
CID 139100718
2-ethoxycarbonyl-2-(oxolan-3-ylmethyl)butanoic acid
CID 103974539
2-(aminomethyl)-2-(4-fluorophenyl)-3-(oxolan-3-yl)propanoic acid
CID 106490902
2-(oxolan-3-yl)ethyl trifluoromethanesulfonate
CID 174529412
3-(oxolan-3-ylmethyl)pentan-3-ol
CID 14783553
(3R)-oxolane-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 159784262
1-(oxan-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986313
fluoro 2-(oxolan-3-yl)acetate
CID 176972898
2-methyl-2-(oxolan-3-ylmethylamino)butanoic acid
CID 78969295
2-oxo-2-(oxolan-3-ylmethylamino)acetic acid
CID 62824224

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(oxolan-3-yl)propanoic acid?
The IUPAC name of 2,2-difluoro-3-(oxolan-3-yl)propanoic acid (CID 105438514) is 2,2-difluoro-3-(oxolan-3-yl)propanoic acid.
What is the SMILES notation for 2,2-difluoro-3-(oxolan-3-yl)propanoic acid?
The canonical SMILES for 2,2-difluoro-3-(oxolan-3-yl)propanoic acid is O=C(O)C(F)(F)CC1CCOC1.
What is the InChIKey of 2,2-difluoro-3-(oxolan-3-yl)propanoic acid?
The InChIKey is DPFFJLRGRUUSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O3/c8-7(9,6(10)11)3-5-1-2-12-4-5/h5H,1-4H2,(H,10,11).
What are the key properties of 2,2-difluoro-3-(oxolan-3-yl)propanoic acid?
2,2-difluoro-3-(oxolan-3-yl)propanoic acid has a molecular weight of 180.15 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(oxolan-3-yl)propanoic acid is sourced from PubChem (CID 105438514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).