cis-(1R,2R)-2-(fluoromethyl)cyclobutane-1-carboxylic acid

C6H9FO2 — CID 96581648

IUPACcis-(1R,2R)-2-(fluoromethyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H]1CF
InChIInChI=1S/C6H9FO2/c7-3-4-1-2-5(4)6(8)9/h4-5H,1-3H2,(H,8,9)/t4-,5+/m0/s1
InChIKeyJSBNCJNDZUIZTP-CRCLSJGQSA-N
MW132.13 g/mol
LogP1.07
Rot. Bonds2

About cis-(1R,2R)-2-(fluoromethyl)cyclobutane-1-carboxylic acid

cis-(1R,2R)-2-(fluoromethyl)cyclobutane-1-carboxylic acid (PubChem CID 96581648) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is cis-(1R,2R)-2-(fluoromethyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2R)-2-(fluoromethyl)cyclobutane-1-carboxylic acid
PubChem CID96581648
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Namecis-(1R,2R)-2-(fluoromethyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H]1CF
InChIInChI=1S/C6H9FO2/c7-3-4-1-2-5(4)6(8)9/h4-5H,1-3H2,(H,8,9)/t4-,5+/m0/s1
InChIKeyJSBNCJNDZUIZTP-CRCLSJGQSA-N
XLogP1.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(fluoromethyl)cyclobutane-1-carboxylic acid?
The IUPAC name of cis-(1R,2R)-2-(fluoromethyl)cyclobutane-1-carboxylic acid (CID 96581648) is cis-(1R,2R)-2-(fluoromethyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2R)-2-(fluoromethyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2R)-2-(fluoromethyl)cyclobutane-1-carboxylic acid is O=C(O)[C@@H]1CC[C@H]1CF.
What is the InChIKey of cis-(1R,2R)-2-(fluoromethyl)cyclobutane-1-carboxylic acid?
The InChIKey is JSBNCJNDZUIZTP-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H9FO2/c7-3-4-1-2-5(4)6(8)9/h4-5H,1-3H2,(H,8,9)/t4-,5+/m0/s1.
What are the key properties of cis-(1R,2R)-2-(fluoromethyl)cyclobutane-1-carboxylic acid?
cis-(1R,2R)-2-(fluoromethyl)cyclobutane-1-carboxylic acid has a molecular weight of 132.13 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(fluoromethyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 96581648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).