1-(trifluoromethyl)cyclobutane-1-carboxylic acid

C6H7F3O2 — CID 2782838

IUPAC1-(trifluoromethyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCC1
InChIInChI=1S/C6H7F3O2/c7-6(8,9)5(4(10)11)2-1-3-5/h1-3H2,(H,10,11)
InChIKeyHYRCPSRIIWIESW-UHFFFAOYSA-N
MW168.11 g/mol
LogP1.80
Rot. Bonds1

About 1-(trifluoromethyl)cyclobutane-1-carboxylic acid

1-(trifluoromethyl)cyclobutane-1-carboxylic acid (PubChem CID 2782838) has the molecular formula C6H7F3O2 and a molecular weight of 168.11 g/mol. Its IUPAC name is 1-(trifluoromethyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(trifluoromethyl)cyclobutane-1-carboxylic acid
PubChem CID2782838
Molecular FormulaC6H7F3O2
Molecular Weight168.11 g/mol
Exact Mass168.04
IUPAC Name1-(trifluoromethyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCC1
InChIInChI=1S/C6H7F3O2/c7-6(8,9)5(4(10)11)2-1-3-5/h1-3H2,(H,10,11)
InChIKeyHYRCPSRIIWIESW-UHFFFAOYSA-N
XLogP1.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.11
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(trifluoromethyl)cyclobutane-1-carboxylic acid (CID 2782838) is 1-(trifluoromethyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(trifluoromethyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(trifluoromethyl)cyclobutane-1-carboxylic acid is O=C(O)C1(C(F)(F)F)CCC1.
What is the InChIKey of 1-(trifluoromethyl)cyclobutane-1-carboxylic acid?
The InChIKey is HYRCPSRIIWIESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O2/c7-6(8,9)5(4(10)11)2-1-3-5/h1-3H2,(H,10,11).
What are the key properties of 1-(trifluoromethyl)cyclobutane-1-carboxylic acid?
1-(trifluoromethyl)cyclobutane-1-carboxylic acid has a molecular weight of 168.11 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 2782838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).