2,2-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclobutan-1-ol

C12H15F3N2O — CID 112634249

IUPAC2,2-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H15F3N2O/c1-11(2)9(5-10(11)18)17-7-3-4-8(16-6-7)12(13,14)15/h3-4,6,9-10,17-18H,5H2,1-2H3
InChIKeyHWHVULOTRRDHMU-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.67
Rot. Bonds2

About 2,2-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclobutan-1-ol

2,2-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclobutan-1-ol (PubChem CID 112634249) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclobutan-1-ol
PubChem CID112634249
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2,2-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H15F3N2O/c1-11(2)9(5-10(11)18)17-7-3-4-8(16-6-7)12(13,14)15/h3-4,6,9-10,17-18H,5H2,1-2H3
InChIKeyHWHVULOTRRDHMU-UHFFFAOYSA-N
XLogP2.67
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[(6-methyl-3-pyridinyl)amino]cyclobutan-1-ol
CID 112634209
N-(2,2-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 82811776
2,2-dimethyl-3-[(2-phenylpyrimidin-5-yl)amino]cyclobutan-1-ol
CID 115972266
6-(trifluoromethyl)-N-(3,3,5-trimethylcyclohexyl)pyridin-3-amine
CID 82811681
4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzenesulfonamide
CID 112633693
2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol
CID 107587633
N-(3-methoxycyclobutyl)-6-(trifluoromethyl)pyridin-3-amine
CID 106821586
N-(2,6-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 82812384
3-[(2-amino-4-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114632838
2,2-dimethyl-3-[3-(trifluoromethoxy)anilino]cyclobutan-1-ol
CID 112633237
3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol
CID 106751240
2,2-dimethyl-3-[4-(triazol-2-yl)anilino]cyclobutan-1-ol
CID 112633683

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclobutan-1-ol (CID 112634249) is 2,2-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclobutan-1-ol is CC1(C)C(O)CC1Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2,2-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclobutan-1-ol?
The InChIKey is HWHVULOTRRDHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-11(2)9(5-10(11)18)17-7-3-4-8(16-6-7)12(13,14)15/h3-4,6,9-10,17-18H,5H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclobutan-1-ol?
2,2-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclobutan-1-ol has a molecular weight of 260.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclobutan-1-ol is sourced from PubChem (CID 112634249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).