4-[(4-fluorophenyl)methylidene]oxane

C12H13FO — CID 20583144

IUPAC4-[(4-fluorophenyl)methylidene]oxane
SMILESFc1ccc(C=C2CCOCC2)cc1
InChIInChI=1S/C12H13FO/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-4,9H,5-8H2
InChIKeySRNYMPFFPVEQKR-UHFFFAOYSA-N
MW192.23 g/mol
LogP3.02
Rot. Bonds1

About 4-[(4-fluorophenyl)methylidene]oxane

4-[(4-fluorophenyl)methylidene]oxane (PubChem CID 20583144) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylidene]oxane.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylidene]oxane
PubChem CID20583144
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name4-[(4-fluorophenyl)methylidene]oxane
SMILESFc1ccc(C=C2CCOCC2)cc1
InChIInChI=1S/C12H13FO/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-4,9H,5-8H2
InChIKeySRNYMPFFPVEQKR-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylidene]oxane?
The IUPAC name of 4-[(4-fluorophenyl)methylidene]oxane (CID 20583144) is 4-[(4-fluorophenyl)methylidene]oxane.
What is the SMILES notation for 4-[(4-fluorophenyl)methylidene]oxane?
The canonical SMILES for 4-[(4-fluorophenyl)methylidene]oxane is Fc1ccc(C=C2CCOCC2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methylidene]oxane?
The InChIKey is SRNYMPFFPVEQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-4,9H,5-8H2.
What are the key properties of 4-[(4-fluorophenyl)methylidene]oxane?
4-[(4-fluorophenyl)methylidene]oxane has a molecular weight of 192.23 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylidene]oxane is sourced from PubChem (CID 20583144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).