2-[cyclopropyl-[6-(trifluoromethyl)-2-pyridinyl]amino]cyclobutan-1-ol

C13H15F3N2O — CID 126856604

IUPAC2-[cyclopropyl-[6-(trifluoromethyl)-2-pyridinyl]amino]cyclobutan-1-ol
SMILESOC1CCC1N(c1cccc(C(F)(F)F)n1)C1CC1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)11-2-1-3-12(17-11)18(8-4-5-8)9-6-7-10(9)19/h1-3,8-10,19H,4-7H2
InChIKeyYWMYWOVKYYEYBI-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.59
Rot. Bonds3

About 2-[cyclopropyl-[6-(trifluoromethyl)-2-pyridinyl]amino]cyclobutan-1-ol

2-[cyclopropyl-[6-(trifluoromethyl)-2-pyridinyl]amino]cyclobutan-1-ol (PubChem CID 126856604) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 2-[cyclopropyl-[6-(trifluoromethyl)-2-pyridinyl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name2-[cyclopropyl-[6-(trifluoromethyl)-2-pyridinyl]amino]cyclobutan-1-ol
PubChem CID126856604
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name2-[cyclopropyl-[6-(trifluoromethyl)-2-pyridinyl]amino]cyclobutan-1-ol
SMILESOC1CCC1N(c1cccc(C(F)(F)F)n1)C1CC1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)11-2-1-3-12(17-11)18(8-4-5-8)9-6-7-10(9)19/h1-3,8-10,19H,4-7H2
InChIKeyYWMYWOVKYYEYBI-UHFFFAOYSA-N
XLogP2.59
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[6-(trifluoromethyl)-2-pyridinyl]amino]cyclobutan-1-ol?
The IUPAC name of 2-[cyclopropyl-[6-(trifluoromethyl)-2-pyridinyl]amino]cyclobutan-1-ol (CID 126856604) is 2-[cyclopropyl-[6-(trifluoromethyl)-2-pyridinyl]amino]cyclobutan-1-ol.
What is the SMILES notation for 2-[cyclopropyl-[6-(trifluoromethyl)-2-pyridinyl]amino]cyclobutan-1-ol?
The canonical SMILES for 2-[cyclopropyl-[6-(trifluoromethyl)-2-pyridinyl]amino]cyclobutan-1-ol is OC1CCC1N(c1cccc(C(F)(F)F)n1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[6-(trifluoromethyl)-2-pyridinyl]amino]cyclobutan-1-ol?
The InChIKey is YWMYWOVKYYEYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-13(15,16)11-2-1-3-12(17-11)18(8-4-5-8)9-6-7-10(9)19/h1-3,8-10,19H,4-7H2.
What are the key properties of 2-[cyclopropyl-[6-(trifluoromethyl)-2-pyridinyl]amino]cyclobutan-1-ol?
2-[cyclopropyl-[6-(trifluoromethyl)-2-pyridinyl]amino]cyclobutan-1-ol has a molecular weight of 272.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[6-(trifluoromethyl)-2-pyridinyl]amino]cyclobutan-1-ol is sourced from PubChem (CID 126856604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).