2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzoxazole

C10H4F7NO — CID 87259215

IUPAC2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzoxazole
SMILESFC(F)(F)C(F)(c1nc2ccccc2o1)C(F)(F)F
InChIInChI=1S/C10H4F7NO/c11-8(9(12,13)14,10(15,16)17)7-18-5-3-1-2-4-6(5)19-7/h1-4H
InChIKeyJVWPIFHJPCCKLB-UHFFFAOYSA-N
MW287.13 g/mol
LogP4.12
Rot. Bonds1

About 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzoxazole

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzoxazole (PubChem CID 87259215) has the molecular formula C10H4F7NO and a molecular weight of 287.13 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzoxazole
PubChem CID87259215
Molecular FormulaC10H4F7NO
Molecular Weight287.13 g/mol
Exact Mass287.02
IUPAC Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzoxazole
SMILESFC(F)(F)C(F)(c1nc2ccccc2o1)C(F)(F)F
InChIInChI=1S/C10H4F7NO/c11-8(9(12,13)14,10(15,16)17)7-18-5-3-1-2-4-6(5)19-7/h1-4H
InChIKeyJVWPIFHJPCCKLB-UHFFFAOYSA-N
XLogP4.12
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzoxazole?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzoxazole (CID 87259215) is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzoxazole is FC(F)(F)C(F)(c1nc2ccccc2o1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzoxazole?
The InChIKey is JVWPIFHJPCCKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F7NO/c11-8(9(12,13)14,10(15,16)17)7-18-5-3-1-2-4-6(5)19-7/h1-4H.
What are the key properties of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzoxazole?
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzoxazole has a molecular weight of 287.13 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 87259215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).