2-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]ethanol

C11H12F3NO — CID 68881146

IUPAC2-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]ethanol
SMILESOCCc1cc(C(F)(F)F)cc(C2CC2)n1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)8-5-9(3-4-16)15-10(6-8)7-1-2-7/h5-7,16H,1-4H2
InChIKeyQAGRZRZWGLAXNX-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.51
Rot. Bonds3

About 2-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]ethanol

2-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]ethanol (PubChem CID 68881146) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]ethanol
PubChem CID68881146
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name2-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]ethanol
SMILESOCCc1cc(C(F)(F)F)cc(C2CC2)n1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)8-5-9(3-4-16)15-10(6-8)7-1-2-7/h5-7,16H,1-4H2
InChIKeyQAGRZRZWGLAXNX-UHFFFAOYSA-N
XLogP2.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]ethanol?
The IUPAC name of 2-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]ethanol (CID 68881146) is 2-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]ethanol.
What is the SMILES notation for 2-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]ethanol?
The canonical SMILES for 2-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]ethanol is OCCc1cc(C(F)(F)F)cc(C2CC2)n1.
What is the InChIKey of 2-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]ethanol?
The InChIKey is QAGRZRZWGLAXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)8-5-9(3-4-16)15-10(6-8)7-1-2-7/h5-7,16H,1-4H2.
What are the key properties of 2-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]ethanol?
2-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]ethanol has a molecular weight of 231.22 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]ethanol is sourced from PubChem (CID 68881146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).