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

C18H11F6NO — CID 129201796

IUPAC6-cyclopropyl-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole
SMILESFC(F)(F)c1ccc(-c2nc3ccc(C4CC4)c(C(F)(F)F)c3o2)cc1
InChIInChI=1S/C18H11F6NO/c19-17(20,21)11-5-3-10(4-6-11)16-25-13-8-7-12(9-1-2-9)14(15(13)26-16)18(22,23)24/h3-9H,1-2H2
InChIKeyVVGWEDTZACONGU-UHFFFAOYSA-N
MW371.28 g/mol
LogP6.41
Rot. Bonds2

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

6-cyclopropyl-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole (PubChem CID 129201796) has the molecular formula C18H11F6NO and a molecular weight of 371.28 g/mol. Its IUPAC name is 6-cyclopropyl-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-cyclopropyl-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole
PubChem CID129201796
Molecular FormulaC18H11F6NO
Molecular Weight371.28 g/mol
Exact Mass371.07
IUPAC Name6-cyclopropyl-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole
SMILESFC(F)(F)c1ccc(-c2nc3ccc(C4CC4)c(C(F)(F)F)c3o2)cc1
InChIInChI=1S/C18H11F6NO/c19-17(20,21)11-5-3-10(4-6-11)16-25-13-8-7-12(9-1-2-9)14(15(13)26-16)18(22,23)24/h3-9H,1-2H2
InChIKeyVVGWEDTZACONGU-UHFFFAOYSA-N
XLogP6.41
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.28
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole?
The IUPAC name of 6-cyclopropyl-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole (CID 129201796) is 6-cyclopropyl-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 6-cyclopropyl-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 6-cyclopropyl-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole is FC(F)(F)c1ccc(-c2nc3ccc(C4CC4)c(C(F)(F)F)c3o2)cc1.
What is the InChIKey of 6-cyclopropyl-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole?
The InChIKey is VVGWEDTZACONGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6NO/c19-17(20,21)11-5-3-10(4-6-11)16-25-13-8-7-12(9-1-2-9)14(15(13)26-16)18(22,23)24/h3-9H,1-2H2.
What are the key properties of 6-cyclopropyl-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole?
6-cyclopropyl-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole has a molecular weight of 371.28 g/mol, XLogP of 6.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 129201796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).