2-[3-(fluoromethyl)cyclobutyl]acetic acid

C7H11FO2 — CID 84716335

IUPAC2-[3-(fluoromethyl)cyclobutyl]acetic acid
SMILESO=C(O)CC1CC(CF)C1
InChIInChI=1S/C7H11FO2/c8-4-6-1-5(2-6)3-7(9)10/h5-6H,1-4H2,(H,9,10)
InChIKeyOAZSKLZNRRNHQK-UHFFFAOYSA-N
MW146.16 g/mol
LogP1.46
Rot. Bonds3

About 2-[3-(fluoromethyl)cyclobutyl]acetic acid

2-[3-(fluoromethyl)cyclobutyl]acetic acid (PubChem CID 84716335) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[3-(fluoromethyl)cyclobutyl]acetic acid
PubChem CID84716335
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name2-[3-(fluoromethyl)cyclobutyl]acetic acid
SMILESO=C(O)CC1CC(CF)C1
InChIInChI=1S/C7H11FO2/c8-4-6-1-5(2-6)3-7(9)10/h5-6H,1-4H2,(H,9,10)
InChIKeyOAZSKLZNRRNHQK-UHFFFAOYSA-N
XLogP1.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(fluoromethyl)cyclobutyl]acetic acid?
The IUPAC name of 2-[3-(fluoromethyl)cyclobutyl]acetic acid (CID 84716335) is 2-[3-(fluoromethyl)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[3-(fluoromethyl)cyclobutyl]acetic acid?
The canonical SMILES for 2-[3-(fluoromethyl)cyclobutyl]acetic acid is O=C(O)CC1CC(CF)C1.
What is the InChIKey of 2-[3-(fluoromethyl)cyclobutyl]acetic acid?
The InChIKey is OAZSKLZNRRNHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO2/c8-4-6-1-5(2-6)3-7(9)10/h5-6H,1-4H2,(H,9,10).
What are the key properties of 2-[3-(fluoromethyl)cyclobutyl]acetic acid?
2-[3-(fluoromethyl)cyclobutyl]acetic acid has a molecular weight of 146.16 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(fluoromethyl)cyclobutyl]acetic acid is sourced from PubChem (CID 84716335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).