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

C15H6ClF6NO — CID 129201803

IUPAC7-chloro-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole
SMILESFC(F)(F)c1ccc(-c2nc3ccc(C(F)(F)F)c(Cl)c3o2)cc1
InChIInChI=1S/C15H6ClF6NO/c16-11-9(15(20,21)22)5-6-10-12(11)24-13(23-10)7-1-3-8(4-2-7)14(17,18)19/h1-6H
InChIKeySIKMFPAJZVLOEM-UHFFFAOYSA-N
MW365.66 g/mol
LogP6.19
Rot. Bonds1

About 7-chloro-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole

7-chloro-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole (PubChem CID 129201803) has the molecular formula C15H6ClF6NO and a molecular weight of 365.66 g/mol. Its IUPAC name is 7-chloro-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name7-chloro-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole
PubChem CID129201803
Molecular FormulaC15H6ClF6NO
Molecular Weight365.66 g/mol
Exact Mass365.00
IUPAC Name7-chloro-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole
SMILESFC(F)(F)c1ccc(-c2nc3ccc(C(F)(F)F)c(Cl)c3o2)cc1
InChIInChI=1S/C15H6ClF6NO/c16-11-9(15(20,21)22)5-6-10-12(11)24-13(23-10)7-1-3-8(4-2-7)14(17,18)19/h1-6H
InChIKeySIKMFPAJZVLOEM-UHFFFAOYSA-N
XLogP6.19
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.66
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole?
The IUPAC name of 7-chloro-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole (CID 129201803) is 7-chloro-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 7-chloro-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 7-chloro-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole is FC(F)(F)c1ccc(-c2nc3ccc(C(F)(F)F)c(Cl)c3o2)cc1.
What is the InChIKey of 7-chloro-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole?
The InChIKey is SIKMFPAJZVLOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6ClF6NO/c16-11-9(15(20,21)22)5-6-10-12(11)24-13(23-10)7-1-3-8(4-2-7)14(17,18)19/h1-6H.
What are the key properties of 7-chloro-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole?
7-chloro-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole has a molecular weight of 365.66 g/mol, XLogP of 6.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 129201803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).