3-[(3,3-difluorocyclobutyl)methyl]oxolane-3-carboxylic acid

C10H14F2O3 — CID 131043344

IUPAC3-[(3,3-difluorocyclobutyl)methyl]oxolane-3-carboxylic acid
SMILESO=C(O)C1(CC2CC(F)(F)C2)CCOC1
InChIInChI=1S/C10H14F2O3/c11-10(12)4-7(5-10)3-9(8(13)14)1-2-15-6-9/h7H,1-6H2,(H,13,14)
InChIKeyOEJWBTQNPCVNRC-UHFFFAOYSA-N
MW220.21 g/mol
LogP1.91
Rot. Bonds3

About 3-[(3,3-difluorocyclobutyl)methyl]oxolane-3-carboxylic acid

3-[(3,3-difluorocyclobutyl)methyl]oxolane-3-carboxylic acid (PubChem CID 131043344) has the molecular formula C10H14F2O3 and a molecular weight of 220.21 g/mol. Its IUPAC name is 3-[(3,3-difluorocyclobutyl)methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(3,3-difluorocyclobutyl)methyl]oxolane-3-carboxylic acid
PubChem CID131043344
Molecular FormulaC10H14F2O3
Molecular Weight220.21 g/mol
Exact Mass220.09
IUPAC Name3-[(3,3-difluorocyclobutyl)methyl]oxolane-3-carboxylic acid
SMILESO=C(O)C1(CC2CC(F)(F)C2)CCOC1
InChIInChI=1S/C10H14F2O3/c11-10(12)4-7(5-10)3-9(8(13)14)1-2-15-6-9/h7H,1-6H2,(H,13,14)
InChIKeyOEJWBTQNPCVNRC-UHFFFAOYSA-N
XLogP1.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyloxolane-3-carboxylic acid
CID 62740785
3-(methylsulfanylmethyl)oxolane-3-carboxylic acid
CID 84655667
3-(trimethylsilylmethyl)oxolane-3-carboxylic acid
CID 106322960
3-(2-bicyclo[2.2.1]heptanylmethyl)oxolane-3-carboxylic acid
CID 79557907
3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid
CID 106930033
3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid
CID 83817567
4-(fluoromethyl)oxane-4-carboxylic acid
CID 83815747
3-[[bis(3-methylbutyl)amino]methyl]oxolane-3-carboxylic acid
CID 107871177
3-[(2-methylpropanoylamino)methyl]oxolane-3-carboxylic acid
CID 165463327
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 79183754
4-(cyclopentylmethyl)-3,3-difluorooxane-4-carboxylic acid
CID 84803561
3-[(4-fluorophenyl)methyl]oxolane-3-carboxylic acid
CID 62740795

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluorocyclobutyl)methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(3,3-difluorocyclobutyl)methyl]oxolane-3-carboxylic acid (CID 131043344) is 3-[(3,3-difluorocyclobutyl)methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(3,3-difluorocyclobutyl)methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(3,3-difluorocyclobutyl)methyl]oxolane-3-carboxylic acid is O=C(O)C1(CC2CC(F)(F)C2)CCOC1.
What is the InChIKey of 3-[(3,3-difluorocyclobutyl)methyl]oxolane-3-carboxylic acid?
The InChIKey is OEJWBTQNPCVNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O3/c11-10(12)4-7(5-10)3-9(8(13)14)1-2-15-6-9/h7H,1-6H2,(H,13,14).
What are the key properties of 3-[(3,3-difluorocyclobutyl)methyl]oxolane-3-carboxylic acid?
3-[(3,3-difluorocyclobutyl)methyl]oxolane-3-carboxylic acid has a molecular weight of 220.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluorocyclobutyl)methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 131043344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).