4-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]oxane

C14H17FO — CID 155927002

IUPAC4-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]oxane
SMILESCc1ccc(/C=C/C2CC(F)CCO2)cc1
InChIInChI=1S/C14H17FO/c1-11-2-4-12(5-3-11)6-7-14-10-13(15)8-9-16-14/h2-7,13-14H,8-10H2,1H3/b7-6+
InChIKeyRIYVEMIPYXFZQT-VOTSOKGWSA-N
MW220.29 g/mol
LogP3.53
Rot. Bonds2

About 4-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]oxane

4-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]oxane (PubChem CID 155927002) has the molecular formula C14H17FO and a molecular weight of 220.29 g/mol. Its IUPAC name is 4-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]oxane.

Molecular Properties

Compound Name4-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]oxane
PubChem CID155927002
Molecular FormulaC14H17FO
Molecular Weight220.29 g/mol
Exact Mass220.13
IUPAC Name4-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]oxane
SMILESCc1ccc(/C=C/C2CC(F)CCO2)cc1
InChIInChI=1S/C14H17FO/c1-11-2-4-12(5-3-11)6-7-14-10-13(15)8-9-16-14/h2-7,13-14H,8-10H2,1H3/b7-6+
InChIKeyRIYVEMIPYXFZQT-VOTSOKGWSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]oxane?
The IUPAC name of 4-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]oxane (CID 155927002) is 4-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]oxane.
What is the SMILES notation for 4-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]oxane?
The canonical SMILES for 4-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]oxane is Cc1ccc(/C=C/C2CC(F)CCO2)cc1.
What is the InChIKey of 4-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]oxane?
The InChIKey is RIYVEMIPYXFZQT-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H17FO/c1-11-2-4-12(5-3-11)6-7-14-10-13(15)8-9-16-14/h2-7,13-14H,8-10H2,1H3/b7-6+.
What are the key properties of 4-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]oxane?
4-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]oxane has a molecular weight of 220.29 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]oxane is sourced from PubChem (CID 155927002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).