1,1,1-trifluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)amino]butan-2-ol

C11H10F4N2O2 — CID 166206816

IUPAC1,1,1-trifluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)amino]butan-2-ol
SMILESOC(CCNc1nc2cc(F)ccc2o1)C(F)(F)F
InChIInChI=1S/C11H10F4N2O2/c12-6-1-2-8-7(5-6)17-10(19-8)16-4-3-9(18)11(13,14)15/h1-2,5,9,18H,3-4H2,(H,16,17)
InChIKeyRYGDDVPMISNMJE-UHFFFAOYSA-N
MW278.20 g/mol
LogP2.69
Rot. Bonds4

About 1,1,1-trifluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)amino]butan-2-ol

1,1,1-trifluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)amino]butan-2-ol (PubChem CID 166206816) has the molecular formula C11H10F4N2O2 and a molecular weight of 278.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)amino]butan-2-ol
PubChem CID166206816
Molecular FormulaC11H10F4N2O2
Molecular Weight278.20 g/mol
Exact Mass278.07
IUPAC Name1,1,1-trifluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)amino]butan-2-ol
SMILESOC(CCNc1nc2cc(F)ccc2o1)C(F)(F)F
InChIInChI=1S/C11H10F4N2O2/c12-6-1-2-8-7(5-6)17-10(19-8)16-4-3-9(18)11(13,14)15/h1-2,5,9,18H,3-4H2,(H,16,17)
InChIKeyRYGDDVPMISNMJE-UHFFFAOYSA-N
XLogP2.69
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)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 1,1,1-trifluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)amino]butan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)amino]butan-2-ol (CID 166206816) is 1,1,1-trifluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)amino]butan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)amino]butan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)amino]butan-2-ol is OC(CCNc1nc2cc(F)ccc2o1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)amino]butan-2-ol?
The InChIKey is RYGDDVPMISNMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N2O2/c12-6-1-2-8-7(5-6)17-10(19-8)16-4-3-9(18)11(13,14)15/h1-2,5,9,18H,3-4H2,(H,16,17).
What are the key properties of 1,1,1-trifluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)amino]butan-2-ol?
1,1,1-trifluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)amino]butan-2-ol has a molecular weight of 278.20 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)amino]butan-2-ol is sourced from PubChem (CID 166206816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).