(3-fluoro-5-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone

C14H15FO2 — CID 79704806

IUPAC(3-fluoro-5-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
SMILESCc1cc(F)cc(C(=O)C2CC3CCC2O3)c1
InChIInChI=1S/C14H15FO2/c1-8-4-9(6-10(15)5-8)14(16)12-7-11-2-3-13(12)17-11/h4-6,11-13H,2-3,7H2,1H3
InChIKeyXMENYWRMIMYRAQ-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.88
Rot. Bonds2

About (3-fluoro-5-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone

(3-fluoro-5-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone (PubChem CID 79704806) has the molecular formula C14H15FO2 and a molecular weight of 234.27 g/mol. Its IUPAC name is (3-fluoro-5-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-5-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
PubChem CID79704806
Molecular FormulaC14H15FO2
Molecular Weight234.27 g/mol
Exact Mass234.11
IUPAC Name(3-fluoro-5-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
SMILESCc1cc(F)cc(C(=O)C2CC3CCC2O3)c1
InChIInChI=1S/C14H15FO2/c1-8-4-9(6-10(15)5-8)14(16)12-7-11-2-3-13(12)17-11/h4-6,11-13H,2-3,7H2,1H3
InChIKeyXMENYWRMIMYRAQ-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
The IUPAC name of (3-fluoro-5-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone (CID 79704806) is (3-fluoro-5-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone.
What is the SMILES notation for (3-fluoro-5-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
The canonical SMILES for (3-fluoro-5-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone is Cc1cc(F)cc(C(=O)C2CC3CCC2O3)c1.
What is the InChIKey of (3-fluoro-5-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
The InChIKey is XMENYWRMIMYRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO2/c1-8-4-9(6-10(15)5-8)14(16)12-7-11-2-3-13(12)17-11/h4-6,11-13H,2-3,7H2,1H3.
What are the key properties of (3-fluoro-5-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
(3-fluoro-5-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone has a molecular weight of 234.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone is sourced from PubChem (CID 79704806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).