2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one

C9H15FO2 — CID 130562345

IUPAC2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one
SMILESCC(C)(F)C(=O)C1CCCOC1
InChIInChI=1S/C9H15FO2/c1-9(2,10)8(11)7-4-3-5-12-6-7/h7H,3-6H2,1-2H3
InChIKeyHDOMOQDJXRQBIR-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.73
Rot. Bonds2

About 2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one

2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one (PubChem CID 130562345) has the molecular formula C9H15FO2 and a molecular weight of 174.21 g/mol. Its IUPAC name is 2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one.

Molecular Properties

Compound Name2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one
PubChem CID130562345
Molecular FormulaC9H15FO2
Molecular Weight174.21 g/mol
Exact Mass174.11
IUPAC Name2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one
SMILESCC(C)(F)C(=O)C1CCCOC1
InChIInChI=1S/C9H15FO2/c1-9(2,10)8(11)7-4-3-5-12-6-7/h7H,3-6H2,1-2H3
InChIKeyHDOMOQDJXRQBIR-UHFFFAOYSA-N
XLogP1.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one
CID 107136046
2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 107135922
2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one
CID 107138320
2-amino-2-methyl-1-(oxan-3-yl)butan-1-one
CID 107138432
2-ethyl-2-methoxy-1-(oxan-3-yl)butan-1-one
CID 107136019
oxane-3-carbonyl oxane-3-carboperoxoate
CID 23083566
methyl (3R)-oxane-3-carboxylate
CID 86306897
2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)propan-1-one
CID 79052397
2-(dimethylamino)-2-ethyl-1-(oxan-3-yl)butan-1-one
CID 107135929
(3R)-oxane-3-carboxylic acid
CID 42554318
N-(2,3,3-trimethylbutan-2-yl)oxane-3-carboxamide
CID 167749080
oxane-3-carboxamide
CID 22714381

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one?
The IUPAC name of 2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one (CID 130562345) is 2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one.
What is the SMILES notation for 2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one?
The canonical SMILES for 2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one is CC(C)(F)C(=O)C1CCCOC1.
What is the InChIKey of 2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one?
The InChIKey is HDOMOQDJXRQBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO2/c1-9(2,10)8(11)7-4-3-5-12-6-7/h7H,3-6H2,1-2H3.
What are the key properties of 2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one?
2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one has a molecular weight of 174.21 g/mol, XLogP of 1.73, 2 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-(oxan-3-yl)propan-1-one is sourced from PubChem (CID 130562345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).