(4-fluorophenyl)-(oxolan-3-yl)methanone

C11H11FO2 — CID 61272585

IUPAC(4-fluorophenyl)-(oxolan-3-yl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCOC1
InChIInChI=1S/C11H11FO2/c12-10-3-1-8(2-4-10)11(13)9-5-6-14-7-9/h1-4,9H,5-7H2
InChIKeyIOFRFICMYSYLMT-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.04
Rot. Bonds2

About (4-fluorophenyl)-(oxolan-3-yl)methanone

(4-fluorophenyl)-(oxolan-3-yl)methanone (PubChem CID 61272585) has the molecular formula C11H11FO2 and a molecular weight of 194.21 g/mol. Its IUPAC name is (4-fluorophenyl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(oxolan-3-yl)methanone
PubChem CID61272585
Molecular FormulaC11H11FO2
Molecular Weight194.21 g/mol
Exact Mass194.07
IUPAC Name(4-fluorophenyl)-(oxolan-3-yl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCOC1
InChIInChI=1S/C11H11FO2/c12-10-3-1-8(2-4-10)11(13)9-5-6-14-7-9/h1-4,9H,5-7H2
InChIKeyIOFRFICMYSYLMT-UHFFFAOYSA-N
XLogP2.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(oxolan-3-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(oxolan-3-yl)methanone (CID 61272585) is (4-fluorophenyl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(oxolan-3-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(oxolan-3-yl)methanone is O=C(c1ccc(F)cc1)C1CCOC1.
What is the InChIKey of (4-fluorophenyl)-(oxolan-3-yl)methanone?
The InChIKey is IOFRFICMYSYLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c12-10-3-1-8(2-4-10)11(13)9-5-6-14-7-9/h1-4,9H,5-7H2.
What are the key properties of (4-fluorophenyl)-(oxolan-3-yl)methanone?
(4-fluorophenyl)-(oxolan-3-yl)methanone has a molecular weight of 194.21 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 61272585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).