2,3-dimethyl-3-(4,4,4-trifluorobutylamino)butan-2-ol

C10H20F3NO — CID 106189857

IUPAC2,3-dimethyl-3-(4,4,4-trifluorobutylamino)butan-2-ol
SMILESCC(C)(O)C(C)(C)NCCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-8(2,9(3,4)15)14-7-5-6-10(11,12)13/h14-15H,5-7H2,1-4H3
InChIKeyZFPUDWLIPPYGLR-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.47
Rot. Bonds5

About 2,3-dimethyl-3-(4,4,4-trifluorobutylamino)butan-2-ol

2,3-dimethyl-3-(4,4,4-trifluorobutylamino)butan-2-ol (PubChem CID 106189857) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 2,3-dimethyl-3-(4,4,4-trifluorobutylamino)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-(4,4,4-trifluorobutylamino)butan-2-ol
PubChem CID106189857
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name2,3-dimethyl-3-(4,4,4-trifluorobutylamino)butan-2-ol
SMILESCC(C)(O)C(C)(C)NCCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-8(2,9(3,4)15)14-7-5-6-10(11,12)13/h14-15H,5-7H2,1-4H3
InChIKeyZFPUDWLIPPYGLR-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-(4,4,4-trifluorobutylamino)butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-(4,4,4-trifluorobutylamino)butan-2-ol (CID 106189857) is 2,3-dimethyl-3-(4,4,4-trifluorobutylamino)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-(4,4,4-trifluorobutylamino)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-(4,4,4-trifluorobutylamino)butan-2-ol is CC(C)(O)C(C)(C)NCCCC(F)(F)F.
What is the InChIKey of 2,3-dimethyl-3-(4,4,4-trifluorobutylamino)butan-2-ol?
The InChIKey is ZFPUDWLIPPYGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-8(2,9(3,4)15)14-7-5-6-10(11,12)13/h14-15H,5-7H2,1-4H3.
What are the key properties of 2,3-dimethyl-3-(4,4,4-trifluorobutylamino)butan-2-ol?
2,3-dimethyl-3-(4,4,4-trifluorobutylamino)butan-2-ol has a molecular weight of 227.27 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-(4,4,4-trifluorobutylamino)butan-2-ol is sourced from PubChem (CID 106189857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).