(E)-2-fluoro-3-[4-(1,2,4-oxadiazol-3-yl)phenyl]prop-2-en-1-ol

C11H9FN2O2 — CID 22630826

IUPAC(E)-2-fluoro-3-[4-(1,2,4-oxadiazol-3-yl)phenyl]prop-2-en-1-ol
SMILESOC/C(F)=C\c1ccc(-c2ncon2)cc1
InChIInChI=1S/C11H9FN2O2/c12-10(6-15)5-8-1-3-9(4-2-8)11-13-7-16-14-11/h1-5,7,15H,6H2/b10-5+
InChIKeyYUSYBDAPHILPND-BJMVGYQFSA-N
MW220.20 g/mol
LogP2.04
Rot. Bonds3

About (E)-2-fluoro-3-[4-(1,2,4-oxadiazol-3-yl)phenyl]prop-2-en-1-ol

(E)-2-fluoro-3-[4-(1,2,4-oxadiazol-3-yl)phenyl]prop-2-en-1-ol (PubChem CID 22630826) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is (E)-2-fluoro-3-[4-(1,2,4-oxadiazol-3-yl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-fluoro-3-[4-(1,2,4-oxadiazol-3-yl)phenyl]prop-2-en-1-ol
PubChem CID22630826
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name(E)-2-fluoro-3-[4-(1,2,4-oxadiazol-3-yl)phenyl]prop-2-en-1-ol
SMILESOC/C(F)=C\c1ccc(-c2ncon2)cc1
InChIInChI=1S/C11H9FN2O2/c12-10(6-15)5-8-1-3-9(4-2-8)11-13-7-16-14-11/h1-5,7,15H,6H2/b10-5+
InChIKeyYUSYBDAPHILPND-BJMVGYQFSA-N
XLogP2.04
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-3-[4-(1,2,4-oxadiazol-3-yl)phenyl]prop-2-en-1-ol?
The IUPAC name of (E)-2-fluoro-3-[4-(1,2,4-oxadiazol-3-yl)phenyl]prop-2-en-1-ol (CID 22630826) is (E)-2-fluoro-3-[4-(1,2,4-oxadiazol-3-yl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-2-fluoro-3-[4-(1,2,4-oxadiazol-3-yl)phenyl]prop-2-en-1-ol?
The canonical SMILES for (E)-2-fluoro-3-[4-(1,2,4-oxadiazol-3-yl)phenyl]prop-2-en-1-ol is OC/C(F)=C\c1ccc(-c2ncon2)cc1.
What is the InChIKey of (E)-2-fluoro-3-[4-(1,2,4-oxadiazol-3-yl)phenyl]prop-2-en-1-ol?
The InChIKey is YUSYBDAPHILPND-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-10(6-15)5-8-1-3-9(4-2-8)11-13-7-16-14-11/h1-5,7,15H,6H2/b10-5+.
What are the key properties of (E)-2-fluoro-3-[4-(1,2,4-oxadiazol-3-yl)phenyl]prop-2-en-1-ol?
(E)-2-fluoro-3-[4-(1,2,4-oxadiazol-3-yl)phenyl]prop-2-en-1-ol has a molecular weight of 220.20 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-3-[4-(1,2,4-oxadiazol-3-yl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 22630826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).