(2-fluorophenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

C14H15FO2 — CID 171950940

IUPAC(2-fluorophenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1ccccc1F)C1CC2CCC(C1)O2
InChIInChI=1S/C14H15FO2/c15-13-4-2-1-3-12(13)14(16)9-7-10-5-6-11(8-9)17-10/h1-4,9-11H,5-8H2
InChIKeyYHEXOIXZTSXAHP-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.97
Rot. Bonds2

About (2-fluorophenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

(2-fluorophenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171950940) has the molecular formula C14H15FO2 and a molecular weight of 234.27 g/mol. Its IUPAC name is (2-fluorophenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171950940
Molecular FormulaC14H15FO2
Molecular Weight234.27 g/mol
Exact Mass234.11
IUPAC Name(2-fluorophenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1ccccc1F)C1CC2CCC(C1)O2
InChIInChI=1S/C14H15FO2/c15-13-4-2-1-3-12(13)14(16)9-7-10-5-6-11(8-9)17-10/h1-4,9-11H,5-8H2
InChIKeyYHEXOIXZTSXAHP-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-(2-fluorophenyl)methanone
CID 22750154
[2-(dimethylamino)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171946489
(2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171944974
(2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171944243
8-oxabicyclo[3.2.1]octan-3-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 171949290
(2-fluoro-5-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947407
(2,4-difluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947649
1-benzofuran-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171945816
(5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947307
8-oxabicyclo[3.2.1]octan-3-yl(quinolin-4-yl)methanone
CID 171941811
1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 66393870
4-(2-fluorobenzoyl)piperidine-1-carbaldehyde
CID 53415342

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (CID 171950940) is (2-fluorophenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is O=C(c1ccccc1F)C1CC2CCC(C1)O2.
What is the InChIKey of (2-fluorophenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is YHEXOIXZTSXAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO2/c15-13-4-2-1-3-12(13)14(16)9-7-10-5-6-11(8-9)17-10/h1-4,9-11H,5-8H2.
What are the key properties of (2-fluorophenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
(2-fluorophenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 234.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171950940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).