3,3-difluoro-1-(fluoromethyl)cyclobutane-1-carboxylic acid

C6H7F3O2 — CID 118062622

IUPAC3,3-difluoro-1-(fluoromethyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CF)CC(F)(F)C1
InChIInChI=1S/C6H7F3O2/c7-3-5(4(10)11)1-6(8,9)2-5/h1-3H2,(H,10,11)
InChIKeyGASWYZXSHMFRSO-UHFFFAOYSA-N
MW168.11 g/mol
LogP1.46
Rot. Bonds2

About 3,3-difluoro-1-(fluoromethyl)cyclobutane-1-carboxylic acid

3,3-difluoro-1-(fluoromethyl)cyclobutane-1-carboxylic acid (PubChem CID 118062622) has the molecular formula C6H7F3O2 and a molecular weight of 168.11 g/mol. Its IUPAC name is 3,3-difluoro-1-(fluoromethyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3,3-difluoro-1-(fluoromethyl)cyclobutane-1-carboxylic acid
PubChem CID118062622
Molecular FormulaC6H7F3O2
Molecular Weight168.11 g/mol
Exact Mass168.04
IUPAC Name3,3-difluoro-1-(fluoromethyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CF)CC(F)(F)C1
InChIInChI=1S/C6H7F3O2/c7-3-5(4(10)11)1-6(8,9)2-5/h1-3H2,(H,10,11)
InChIKeyGASWYZXSHMFRSO-UHFFFAOYSA-N
XLogP1.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.11
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid
CID 115018921
3,3-difluoro-1-(methoxymethyl)cyclobutane-1-carboxylic acid
CID 155943483
1-(fluoromethyl)cycloheptane-1-carboxylic acid
CID 84766672
4-(fluoromethyl)oxane-4-carboxylic acid
CID 83815747
4,4-difluoro-1-(hydroxymethyl)cyclohexane-1-carboxylic acid
CID 86690087
4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid
CID 83816581
methyl 1-(bromomethyl)-3,3-difluorocyclobutane-1-carboxylate
CID 146155096
3,3-difluoro-1-(2-hydroxy-2-methylpropyl)cyclopentane-1-carboxylic acid
CID 170909967
3,3-difluoro-1-methylcyclobutane-1-carboxylic acid
CID 23446853
1-ethyl-3-fluoro-3-methylcyclobutane-1-carboxylic acid
CID 115012546
1-(carboxymethyl)-4,4-difluorocyclohexane-1-carboxylic acid
CID 176916515
ethyl 3,3-difluoro-1-(hydroxymethyl)cyclobutane-1-carboxylate
CID 162420364

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(fluoromethyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 3,3-difluoro-1-(fluoromethyl)cyclobutane-1-carboxylic acid (CID 118062622) is 3,3-difluoro-1-(fluoromethyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3,3-difluoro-1-(fluoromethyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3,3-difluoro-1-(fluoromethyl)cyclobutane-1-carboxylic acid is O=C(O)C1(CF)CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(fluoromethyl)cyclobutane-1-carboxylic acid?
The InChIKey is GASWYZXSHMFRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O2/c7-3-5(4(10)11)1-6(8,9)2-5/h1-3H2,(H,10,11).
What are the key properties of 3,3-difluoro-1-(fluoromethyl)cyclobutane-1-carboxylic acid?
3,3-difluoro-1-(fluoromethyl)cyclobutane-1-carboxylic acid has a molecular weight of 168.11 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(fluoromethyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 118062622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).