5-(1,1,2,2,2-pentafluoroethyl)-2-pyridin-4-yl-1,3-benzoxazole

C14H7F5N2O — CID 86651046

IUPAC5-(1,1,2,2,2-pentafluoroethyl)-2-pyridin-4-yl-1,3-benzoxazole
SMILESFC(F)(F)C(F)(F)c1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C14H7F5N2O/c15-13(16,14(17,18)19)9-1-2-11-10(7-9)21-12(22-11)8-3-5-20-6-4-8/h1-7H
InChIKeyREOMNOHGLONBPS-UHFFFAOYSA-N
MW314.21 g/mol
LogP4.54
Rot. Bonds2

About 5-(1,1,2,2,2-pentafluoroethyl)-2-pyridin-4-yl-1,3-benzoxazole

5-(1,1,2,2,2-pentafluoroethyl)-2-pyridin-4-yl-1,3-benzoxazole (PubChem CID 86651046) has the molecular formula C14H7F5N2O and a molecular weight of 314.21 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethyl)-2-pyridin-4-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethyl)-2-pyridin-4-yl-1,3-benzoxazole
PubChem CID86651046
Molecular FormulaC14H7F5N2O
Molecular Weight314.21 g/mol
Exact Mass314.05
IUPAC Name5-(1,1,2,2,2-pentafluoroethyl)-2-pyridin-4-yl-1,3-benzoxazole
SMILESFC(F)(F)C(F)(F)c1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C14H7F5N2O/c15-13(16,14(17,18)19)9-1-2-11-10(7-9)21-12(22-11)8-3-5-20-6-4-8/h1-7H
InChIKeyREOMNOHGLONBPS-UHFFFAOYSA-N
XLogP4.54
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

CID 112786
CID 112786
CID 16179
CID 16179
CID 5332173
CID 5332173
CID 21884
CID 21884
CID 16803
CID 16803
CID 348698
CID 348698
CID 16638995
CID 16638995
CID 16735161
CID 16735161
CID 675056
CID 675056
CID 921484
CID 921484
CID 81919
CID 81919
CID 649646
CID 649646

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-2-pyridin-4-yl-1,3-benzoxazole?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-2-pyridin-4-yl-1,3-benzoxazole (CID 86651046) is 5-(1,1,2,2,2-pentafluoroethyl)-2-pyridin-4-yl-1,3-benzoxazole.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethyl)-2-pyridin-4-yl-1,3-benzoxazole?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethyl)-2-pyridin-4-yl-1,3-benzoxazole is FC(F)(F)C(F)(F)c1ccc2oc(-c3ccncc3)nc2c1.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethyl)-2-pyridin-4-yl-1,3-benzoxazole?
The InChIKey is REOMNOHGLONBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F5N2O/c15-13(16,14(17,18)19)9-1-2-11-10(7-9)21-12(22-11)8-3-5-20-6-4-8/h1-7H.
What are the key properties of 5-(1,1,2,2,2-pentafluoroethyl)-2-pyridin-4-yl-1,3-benzoxazole?
5-(1,1,2,2,2-pentafluoroethyl)-2-pyridin-4-yl-1,3-benzoxazole has a molecular weight of 314.21 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentafluoroethyl)-2-pyridin-4-yl-1,3-benzoxazole is sourced from PubChem (CID 86651046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).