(E)-1-fluoro-4-phenylbut-3-en-2-ol

C10H11FO — CID 58581811

IUPAC(E)-1-fluoro-4-phenylbut-3-en-2-ol
SMILESOC(/C=C/c1ccccc1)CF
InChIInChI=1S/C10H11FO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-7,10,12H,8H2/b7-6+
InChIKeyGBELKHDXSDLJJP-VOTSOKGWSA-N
MW166.19 g/mol
LogP2.03
Rot. Bonds3

About (E)-1-fluoro-4-phenylbut-3-en-2-ol

(E)-1-fluoro-4-phenylbut-3-en-2-ol (PubChem CID 58581811) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is (E)-1-fluoro-4-phenylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-1-fluoro-4-phenylbut-3-en-2-ol
PubChem CID58581811
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name(E)-1-fluoro-4-phenylbut-3-en-2-ol
SMILESOC(/C=C/c1ccccc1)CF
InChIInChI=1S/C10H11FO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-7,10,12H,8H2/b7-6+
InChIKeyGBELKHDXSDLJJP-VOTSOKGWSA-N
XLogP2.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-1-fluoro-4-phenylbut-3-en-2-ol?
The IUPAC name of (E)-1-fluoro-4-phenylbut-3-en-2-ol (CID 58581811) is (E)-1-fluoro-4-phenylbut-3-en-2-ol.
What is the SMILES notation for (E)-1-fluoro-4-phenylbut-3-en-2-ol?
The canonical SMILES for (E)-1-fluoro-4-phenylbut-3-en-2-ol is OC(/C=C/c1ccccc1)CF.
What is the InChIKey of (E)-1-fluoro-4-phenylbut-3-en-2-ol?
The InChIKey is GBELKHDXSDLJJP-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H11FO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-7,10,12H,8H2/b7-6+.
What are the key properties of (E)-1-fluoro-4-phenylbut-3-en-2-ol?
(E)-1-fluoro-4-phenylbut-3-en-2-ol has a molecular weight of 166.19 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluoro-4-phenylbut-3-en-2-ol is sourced from PubChem (CID 58581811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).