2-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol

C12H16F3NO — CID 134969531

IUPAC2-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol
SMILESCCC(CC)C(O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H16F3NO/c1-3-8(4-2)11(17)9-5-6-10(16-7-9)12(13,14)15/h5-8,11,17H,3-4H2,1-2H3
InChIKeyBJWOTNZGYYXKGN-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.57
Rot. Bonds4

About 2-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol

2-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol (PubChem CID 134969531) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol
PubChem CID134969531
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol
SMILESCCC(CC)C(O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H16F3NO/c1-3-8(4-2)11(17)9-5-6-10(16-7-9)12(13,14)15/h5-8,11,17H,3-4H2,1-2H3
InChIKeyBJWOTNZGYYXKGN-UHFFFAOYSA-N
XLogP3.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol?
The IUPAC name of 2-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol (CID 134969531) is 2-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol?
The canonical SMILES for 2-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol is CCC(CC)C(O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol?
The InChIKey is BJWOTNZGYYXKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-3-8(4-2)11(17)9-5-6-10(16-7-9)12(13,14)15/h5-8,11,17H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol?
2-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol has a molecular weight of 247.26 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol is sourced from PubChem (CID 134969531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).