2-fluoro-2-methyl-1-[2-(3-methylbutyl)morpholin-4-yl]propan-1-one

C13H24FNO2 — CID 175628588

IUPAC2-fluoro-2-methyl-1-[2-(3-methylbutyl)morpholin-4-yl]propan-1-one
SMILESCC(C)CCC1CN(C(=O)C(C)(C)F)CCO1
InChIInChI=1S/C13H24FNO2/c1-10(2)5-6-11-9-15(7-8-17-11)12(16)13(3,4)14/h10-11H,5-9H2,1-4H3
InChIKeyQXOWGBSPFDQZII-UHFFFAOYSA-N
MW245.34 g/mol
LogP2.40
Rot. Bonds4

About 2-fluoro-2-methyl-1-[2-(3-methylbutyl)morpholin-4-yl]propan-1-one

2-fluoro-2-methyl-1-[2-(3-methylbutyl)morpholin-4-yl]propan-1-one (PubChem CID 175628588) has the molecular formula C13H24FNO2 and a molecular weight of 245.34 g/mol. Its IUPAC name is 2-fluoro-2-methyl-1-[2-(3-methylbutyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name2-fluoro-2-methyl-1-[2-(3-methylbutyl)morpholin-4-yl]propan-1-one
PubChem CID175628588
Molecular FormulaC13H24FNO2
Molecular Weight245.34 g/mol
Exact Mass245.18
IUPAC Name2-fluoro-2-methyl-1-[2-(3-methylbutyl)morpholin-4-yl]propan-1-one
SMILESCC(C)CCC1CN(C(=O)C(C)(C)F)CCO1
InChIInChI=1S/C13H24FNO2/c1-10(2)5-6-11-9-15(7-8-17-11)12(16)13(3,4)14/h10-11H,5-9H2,1-4H3
InChIKeyQXOWGBSPFDQZII-UHFFFAOYSA-N
XLogP2.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-1-[2-(3-methylbutyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 2-fluoro-2-methyl-1-[2-(3-methylbutyl)morpholin-4-yl]propan-1-one (CID 175628588) is 2-fluoro-2-methyl-1-[2-(3-methylbutyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 2-fluoro-2-methyl-1-[2-(3-methylbutyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 2-fluoro-2-methyl-1-[2-(3-methylbutyl)morpholin-4-yl]propan-1-one is CC(C)CCC1CN(C(=O)C(C)(C)F)CCO1.
What is the InChIKey of 2-fluoro-2-methyl-1-[2-(3-methylbutyl)morpholin-4-yl]propan-1-one?
The InChIKey is QXOWGBSPFDQZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO2/c1-10(2)5-6-11-9-15(7-8-17-11)12(16)13(3,4)14/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-fluoro-2-methyl-1-[2-(3-methylbutyl)morpholin-4-yl]propan-1-one?
2-fluoro-2-methyl-1-[2-(3-methylbutyl)morpholin-4-yl]propan-1-one has a molecular weight of 245.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-1-[2-(3-methylbutyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 175628588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).