1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol

C11H13F3N2O — CID 115669125

IUPAC1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol
SMILESOC1(CNc2ccc(C(F)(F)F)cn2)CCC1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)8-2-3-9(15-6-8)16-7-10(17)4-1-5-10/h2-3,6,17H,1,4-5,7H2,(H,15,16)
InChIKeyGKMZURHIYORZBA-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.43
Rot. Bonds3

About 1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol

1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol (PubChem CID 115669125) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol
PubChem CID115669125
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol
SMILESOC1(CNc2ccc(C(F)(F)F)cn2)CCC1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)8-2-3-9(15-6-8)16-7-10(17)4-1-5-10/h2-3,6,17H,1,4-5,7H2,(H,15,16)
InChIKeyGKMZURHIYORZBA-UHFFFAOYSA-N
XLogP2.43
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 66330056
1-[[(5-fluoro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 65111028
1-[(pyrimidin-4-ylamino)methyl]cyclobutan-1-ol
CID 115774912
N-(1-ethylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 113488892
1-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 102718737
N-(2-bromoprop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine
CID 115594979
1-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
CID 65210798
N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 115637573
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxan-4-ol
CID 79839410
N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106845031
1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide
CID 119853879
1-[[(6-fluoro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 65108918

Frequently Asked Questions

What is the IUPAC name of 1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol (CID 115669125) is 1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol is OC1(CNc2ccc(C(F)(F)F)cn2)CCC1.
What is the InChIKey of 1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol?
The InChIKey is GKMZURHIYORZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)8-2-3-9(15-6-8)16-7-10(17)4-1-5-10/h2-3,6,17H,1,4-5,7H2,(H,15,16).
What are the key properties of 1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol?
1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol has a molecular weight of 246.23 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 115669125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).