1-[5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxylic acid

C11H10F3NO2 — CID 115009001

IUPAC1-[5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cncc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)8-4-7(5-15-6-8)10(9(16)17)2-1-3-10/h4-6H,1-3H2,(H,16,17)
InChIKeyFXUNLWMENKUYPI-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.61
Rot. Bonds2

About 1-[5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxylic acid

1-[5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxylic acid (PubChem CID 115009001) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxylic acid
PubChem CID115009001
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name1-[5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cncc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)8-4-7(5-15-6-8)10(9(16)17)2-1-3-10/h4-6H,1-3H2,(H,16,17)
InChIKeyFXUNLWMENKUYPI-UHFFFAOYSA-N
XLogP2.61
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxylic acid (CID 115009001) is 1-[5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxylic acid is O=C(O)C1(c2cncc(C(F)(F)F)c2)CCC1.
What is the InChIKey of 1-[5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxylic acid?
The InChIKey is FXUNLWMENKUYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-11(13,14)8-4-7(5-15-6-8)10(9(16)17)2-1-3-10/h4-6H,1-3H2,(H,16,17).
What are the key properties of 1-[5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxylic acid?
1-[5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxylic acid has a molecular weight of 245.20 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115009001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).