(2R)-1-[cyclobutyl(3,3,3-trifluoropropyl)amino]butan-2-ol

C11H20F3NO — CID 111974933

IUPAC(2R)-1-[cyclobutyl(3,3,3-trifluoropropyl)amino]butan-2-ol
SMILESCC[C@@H](O)CN(CCC(F)(F)F)C1CCC1
InChIInChI=1S/C11H20F3NO/c1-2-10(16)8-15(9-4-3-5-9)7-6-11(12,13)14/h9-10,16H,2-8H2,1H3/t10-/m1/s1
InChIKeyINJNNFFJHSBOMS-SNVBAGLBSA-N
MW239.28 g/mol
LogP2.56
Rot. Bonds6

About (2R)-1-[cyclobutyl(3,3,3-trifluoropropyl)amino]butan-2-ol

(2R)-1-[cyclobutyl(3,3,3-trifluoropropyl)amino]butan-2-ol (PubChem CID 111974933) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is (2R)-1-[cyclobutyl(3,3,3-trifluoropropyl)amino]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[cyclobutyl(3,3,3-trifluoropropyl)amino]butan-2-ol
PubChem CID111974933
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name(2R)-1-[cyclobutyl(3,3,3-trifluoropropyl)amino]butan-2-ol
SMILESCC[C@@H](O)CN(CCC(F)(F)F)C1CCC1
InChIInChI=1S/C11H20F3NO/c1-2-10(16)8-15(9-4-3-5-9)7-6-11(12,13)14/h9-10,16H,2-8H2,1H3/t10-/m1/s1
InChIKeyINJNNFFJHSBOMS-SNVBAGLBSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-1-[cyclobutyl(3,3,3-trifluoropropyl)amino]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[cyclobutyl(3,3,3-trifluoropropyl)amino]butan-2-ol?
The IUPAC name of (2R)-1-[cyclobutyl(3,3,3-trifluoropropyl)amino]butan-2-ol (CID 111974933) is (2R)-1-[cyclobutyl(3,3,3-trifluoropropyl)amino]butan-2-ol.
What is the SMILES notation for (2R)-1-[cyclobutyl(3,3,3-trifluoropropyl)amino]butan-2-ol?
The canonical SMILES for (2R)-1-[cyclobutyl(3,3,3-trifluoropropyl)amino]butan-2-ol is CC[C@@H](O)CN(CCC(F)(F)F)C1CCC1.
What is the InChIKey of (2R)-1-[cyclobutyl(3,3,3-trifluoropropyl)amino]butan-2-ol?
The InChIKey is INJNNFFJHSBOMS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-10(16)8-15(9-4-3-5-9)7-6-11(12,13)14/h9-10,16H,2-8H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-1-[cyclobutyl(3,3,3-trifluoropropyl)amino]butan-2-ol?
(2R)-1-[cyclobutyl(3,3,3-trifluoropropyl)amino]butan-2-ol has a molecular weight of 239.28 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[cyclobutyl(3,3,3-trifluoropropyl)amino]butan-2-ol is sourced from PubChem (CID 111974933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).