3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol

C11H12F3NO — CID 10014108

IUPAC3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol
SMILESCC1CC(O)(c2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C11H12F3NO/c1-7-5-10(16,6-7)9-4-8(2-3-15-9)11(12,13)14/h2-4,7,16H,5-6H2,1H3
InChIKeyCHJUCUUTDFNYKB-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.72
Rot. Bonds1

About 3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol

3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol (PubChem CID 10014108) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol
PubChem CID10014108
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol
SMILESCC1CC(O)(c2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C11H12F3NO/c1-7-5-10(16,6-7)9-4-8(2-3-15-9)11(12,13)14/h2-4,7,16H,5-6H2,1H3
InChIKeyCHJUCUUTDFNYKB-UHFFFAOYSA-N
XLogP2.72
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]cyclopentan-1-amine
CID 118326169
tert-butyl formate;4-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 174513331
3-[hydroxy(pyridin-2-yl)methyl]-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol
CID 78110101
4-methyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 66330615
4-[4-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol
CID 122242481
2-(1-cyclobutylethyl)-4-(trifluoromethyl)pyridine
CID 170081104
3-methyl-1-(1,2-thiazol-3-yl)cyclobutan-1-ol
CID 130604943
2-cyclopentyl-4-(trifluoromethyl)pyridine
CID 144787930
[4-(trifluoromethyl)-2-pyridinyl]phosphane
CID 143994599
N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330850
(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride
CID 118990673
methyl-[4-(trifluoromethyl)-2-pyridinyl]phosphane
CID 145124563

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol?
The IUPAC name of 3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol (CID 10014108) is 3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol.
What is the SMILES notation for 3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol?
The canonical SMILES for 3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol is CC1CC(O)(c2cc(C(F)(F)F)ccn2)C1.
What is the InChIKey of 3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol?
The InChIKey is CHJUCUUTDFNYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-7-5-10(16,6-7)9-4-8(2-3-15-9)11(12,13)14/h2-4,7,16H,5-6H2,1H3.
What are the key properties of 3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol?
3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol has a molecular weight of 231.22 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol is sourced from PubChem (CID 10014108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).