6-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole

C14H7ClF3NO — CID 102447160

IUPAC6-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole
SMILESFC(F)(F)c1ccc(-c2nc3ccc(Cl)cc3o2)cc1
InChIInChI=1S/C14H7ClF3NO/c15-10-5-6-11-12(7-10)20-13(19-11)8-1-3-9(4-2-8)14(16,17)18/h1-7H
InChIKeyLRDVZHBIGSGDOB-UHFFFAOYSA-N
MW297.66 g/mol
LogP5.17
Rot. Bonds1

About 6-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole

6-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole (PubChem CID 102447160) has the molecular formula C14H7ClF3NO and a molecular weight of 297.66 g/mol. Its IUPAC name is 6-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole
PubChem CID102447160
Molecular FormulaC14H7ClF3NO
Molecular Weight297.66 g/mol
Exact Mass297.02
IUPAC Name6-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole
SMILESFC(F)(F)c1ccc(-c2nc3ccc(Cl)cc3o2)cc1
InChIInChI=1S/C14H7ClF3NO/c15-10-5-6-11-12(7-10)20-13(19-11)8-1-3-9(4-2-8)14(16,17)18/h1-7H
InChIKeyLRDVZHBIGSGDOB-UHFFFAOYSA-N
XLogP5.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.66
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole?
The IUPAC name of 6-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole (CID 102447160) is 6-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 6-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 6-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole is FC(F)(F)c1ccc(-c2nc3ccc(Cl)cc3o2)cc1.
What is the InChIKey of 6-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole?
The InChIKey is LRDVZHBIGSGDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF3NO/c15-10-5-6-11-12(7-10)20-13(19-11)8-1-3-9(4-2-8)14(16,17)18/h1-7H.
What are the key properties of 6-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole?
6-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole has a molecular weight of 297.66 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 102447160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).