(6-chloro-1,2-benzoxazol-3-yl) 4-(trifluoromethyl)piperidine-1-carboxylate

C14H12ClF3N2O3 — CID 11857752

IUPAC(6-chloro-1,2-benzoxazol-3-yl) 4-(trifluoromethyl)piperidine-1-carboxylate
SMILESO=C(Oc1noc2cc(Cl)ccc12)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H12ClF3N2O3/c15-9-1-2-10-11(7-9)23-19-12(10)22-13(21)20-5-3-8(4-6-20)14(16,17)18/h1-2,7-8H,3-6H2
InChIKeyWIWFHDJSYIPMFX-UHFFFAOYSA-N
MW348.71 g/mol
LogP4.25
Rot. Bonds1

About (6-chloro-1,2-benzoxazol-3-yl) 4-(trifluoromethyl)piperidine-1-carboxylate

(6-chloro-1,2-benzoxazol-3-yl) 4-(trifluoromethyl)piperidine-1-carboxylate (PubChem CID 11857752) has the molecular formula C14H12ClF3N2O3 and a molecular weight of 348.71 g/mol. Its IUPAC name is (6-chloro-1,2-benzoxazol-3-yl) 4-(trifluoromethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name(6-chloro-1,2-benzoxazol-3-yl) 4-(trifluoromethyl)piperidine-1-carboxylate
PubChem CID11857752
Molecular FormulaC14H12ClF3N2O3
Molecular Weight348.71 g/mol
Exact Mass348.05
IUPAC Name(6-chloro-1,2-benzoxazol-3-yl) 4-(trifluoromethyl)piperidine-1-carboxylate
SMILESO=C(Oc1noc2cc(Cl)ccc12)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H12ClF3N2O3/c15-9-1-2-10-11(7-9)23-19-12(10)22-13(21)20-5-3-8(4-6-20)14(16,17)18/h1-2,7-8H,3-6H2
InChIKeyWIWFHDJSYIPMFX-UHFFFAOYSA-N
XLogP4.25
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.71
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-1,2-benzoxazol-3-yl) 4-(trifluoromethyl)piperidine-1-carboxylate?
The IUPAC name of (6-chloro-1,2-benzoxazol-3-yl) 4-(trifluoromethyl)piperidine-1-carboxylate (CID 11857752) is (6-chloro-1,2-benzoxazol-3-yl) 4-(trifluoromethyl)piperidine-1-carboxylate.
What is the SMILES notation for (6-chloro-1,2-benzoxazol-3-yl) 4-(trifluoromethyl)piperidine-1-carboxylate?
The canonical SMILES for (6-chloro-1,2-benzoxazol-3-yl) 4-(trifluoromethyl)piperidine-1-carboxylate is O=C(Oc1noc2cc(Cl)ccc12)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of (6-chloro-1,2-benzoxazol-3-yl) 4-(trifluoromethyl)piperidine-1-carboxylate?
The InChIKey is WIWFHDJSYIPMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O3/c15-9-1-2-10-11(7-9)23-19-12(10)22-13(21)20-5-3-8(4-6-20)14(16,17)18/h1-2,7-8H,3-6H2.
What are the key properties of (6-chloro-1,2-benzoxazol-3-yl) 4-(trifluoromethyl)piperidine-1-carboxylate?
(6-chloro-1,2-benzoxazol-3-yl) 4-(trifluoromethyl)piperidine-1-carboxylate has a molecular weight of 348.71 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1,2-benzoxazol-3-yl) 4-(trifluoromethyl)piperidine-1-carboxylate is sourced from PubChem (CID 11857752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).