(2-fluoro-5-methylphenyl)-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)methanone

C15H18FNO2 — CID 176760703

IUPAC(2-fluoro-5-methylphenyl)-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)methanone
SMILESCOC1CC2(C1)CN(C(=O)c1cc(C)ccc1F)C2
InChIInChI=1S/C15H18FNO2/c1-10-3-4-13(16)12(5-10)14(18)17-8-15(9-17)6-11(7-15)19-2/h3-5,11H,6-9H2,1-2H3
InChIKeyCLAPHQXLDPVLHS-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.39
Rot. Bonds2

About (2-fluoro-5-methylphenyl)-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)methanone

(2-fluoro-5-methylphenyl)-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)methanone (PubChem CID 176760703) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)methanone
PubChem CID176760703
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name(2-fluoro-5-methylphenyl)-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)methanone
SMILESCOC1CC2(C1)CN(C(=O)c1cc(C)ccc1F)C2
InChIInChI=1S/C15H18FNO2/c1-10-3-4-13(16)12(5-10)14(18)17-8-15(9-17)6-11(7-15)19-2/h3-5,11H,6-9H2,1-2H3
InChIKeyCLAPHQXLDPVLHS-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)methanone?
The IUPAC name of (2-fluoro-5-methylphenyl)-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)methanone (CID 176760703) is (2-fluoro-5-methylphenyl)-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)methanone.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)methanone?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)methanone is COC1CC2(C1)CN(C(=O)c1cc(C)ccc1F)C2.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)methanone?
The InChIKey is CLAPHQXLDPVLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-10-3-4-13(16)12(5-10)14(18)17-8-15(9-17)6-11(7-15)19-2/h3-5,11H,6-9H2,1-2H3.
What are the key properties of (2-fluoro-5-methylphenyl)-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)methanone?
(2-fluoro-5-methylphenyl)-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)methanone has a molecular weight of 263.31 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)methanone is sourced from PubChem (CID 176760703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).