2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C14H11F6NO2 — CID 10131968

IUPAC2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1noc(C)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C14H11F6NO2/c1-7-11(8(2)23-21-7)9-3-5-10(6-4-9)12(22,13(15,16)17)14(18,19)20/h3-6,22H,1-2H3
InChIKeyNWQJJKSOJASBHZ-UHFFFAOYSA-N
MW339.24 g/mol
LogP4.27
Rot. Bonds2

About 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 10131968) has the molecular formula C14H11F6NO2 and a molecular weight of 339.24 g/mol. Its IUPAC name is 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID10131968
Molecular FormulaC14H11F6NO2
Molecular Weight339.24 g/mol
Exact Mass339.07
IUPAC Name2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1noc(C)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C14H11F6NO2/c1-7-11(8(2)23-21-7)9-3-5-10(6-4-9)12(22,13(15,16)17)14(18,19)20/h3-6,22H,1-2H3
InChIKeyNWQJJKSOJASBHZ-UHFFFAOYSA-N
XLogP4.27
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 10131968) is 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is Cc1noc(C)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is NWQJJKSOJASBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F6NO2/c1-7-11(8(2)23-21-7)9-3-5-10(6-4-9)12(22,13(15,16)17)14(18,19)20/h3-6,22H,1-2H3.
What are the key properties of 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 339.24 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 10131968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).