4-[(3-fluorophenyl)methylidene]oxane

C12H13FO — CID 165450645

IUPAC4-[(3-fluorophenyl)methylidene]oxane
SMILESFc1cccc(C=C2CCOCC2)c1
InChIInChI=1S/C12H13FO/c13-12-3-1-2-11(9-12)8-10-4-6-14-7-5-10/h1-3,8-9H,4-7H2
InChIKeyLYKNLKIISRWGGW-UHFFFAOYSA-N
MW192.23 g/mol
LogP3.02
Rot. Bonds1

About 4-[(3-fluorophenyl)methylidene]oxane

4-[(3-fluorophenyl)methylidene]oxane (PubChem CID 165450645) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methylidene]oxane.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methylidene]oxane
PubChem CID165450645
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name4-[(3-fluorophenyl)methylidene]oxane
SMILESFc1cccc(C=C2CCOCC2)c1
InChIInChI=1S/C12H13FO/c13-12-3-1-2-11(9-12)8-10-4-6-14-7-5-10/h1-3,8-9H,4-7H2
InChIKeyLYKNLKIISRWGGW-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-[(3-fluorophenyl)methylidene]oxane?
The IUPAC name of 4-[(3-fluorophenyl)methylidene]oxane (CID 165450645) is 4-[(3-fluorophenyl)methylidene]oxane.
What is the SMILES notation for 4-[(3-fluorophenyl)methylidene]oxane?
The canonical SMILES for 4-[(3-fluorophenyl)methylidene]oxane is Fc1cccc(C=C2CCOCC2)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methylidene]oxane?
The InChIKey is LYKNLKIISRWGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c13-12-3-1-2-11(9-12)8-10-4-6-14-7-5-10/h1-3,8-9H,4-7H2.
What are the key properties of 4-[(3-fluorophenyl)methylidene]oxane?
4-[(3-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-[(3-fluorophenyl)methylidene]oxane is sourced from PubChem (CID 165450645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).