6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole

C14H14F4N2O — CID 171996239

IUPAC6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole
SMILESFc1ccc2c(CN3CCC(C(F)(F)F)CC3)noc2c1
InChIInChI=1S/C14H14F4N2O/c15-10-1-2-11-12(19-21-13(11)7-10)8-20-5-3-9(4-6-20)14(16,17)18/h1-2,7,9H,3-6,8H2
InChIKeyUDGCRMCPEGHJDX-UHFFFAOYSA-N
MW302.27 g/mol
LogP3.74
Rot. Bonds2

About 6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole

6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole (PubChem CID 171996239) has the molecular formula C14H14F4N2O and a molecular weight of 302.27 g/mol. Its IUPAC name is 6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole
PubChem CID171996239
Molecular FormulaC14H14F4N2O
Molecular Weight302.27 g/mol
Exact Mass302.10
IUPAC Name6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole
SMILESFc1ccc2c(CN3CCC(C(F)(F)F)CC3)noc2c1
InChIInChI=1S/C14H14F4N2O/c15-10-1-2-11-12(19-21-13(11)7-10)8-20-5-3-9(4-6-20)14(16,17)18/h1-2,7,9H,3-6,8H2
InChIKeyUDGCRMCPEGHJDX-UHFFFAOYSA-N
XLogP3.74
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.27
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole 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 6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole (CID 171996239) is 6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole is Fc1ccc2c(CN3CCC(C(F)(F)F)CC3)noc2c1.
What is the InChIKey of 6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole?
The InChIKey is UDGCRMCPEGHJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2O/c15-10-1-2-11-12(19-21-13(11)7-10)8-20-5-3-9(4-6-20)14(16,17)18/h1-2,7,9H,3-6,8H2.
What are the key properties of 6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole?
6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole has a molecular weight of 302.27 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole is sourced from PubChem (CID 171996239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).