4-fluoro-4,7-dimethyloctan-3-one

C10H19FO — CID 176990055

IUPAC4-fluoro-4,7-dimethyloctan-3-one
SMILESCCC(=O)C(C)(F)CCC(C)C
InChIInChI=1S/C10H19FO/c1-5-9(12)10(4,11)7-6-8(2)3/h8H,5-7H2,1-4H3
InChIKeyLVGRRGLVLIYJQG-UHFFFAOYSA-N
MW174.26 g/mol
LogP3.13
Rot. Bonds5

About 4-fluoro-4,7-dimethyloctan-3-one

4-fluoro-4,7-dimethyloctan-3-one (PubChem CID 176990055) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is 4-fluoro-4,7-dimethyloctan-3-one.

Molecular Properties

Compound Name4-fluoro-4,7-dimethyloctan-3-one
PubChem CID176990055
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name4-fluoro-4,7-dimethyloctan-3-one
SMILESCCC(=O)C(C)(F)CCC(C)C
InChIInChI=1S/C10H19FO/c1-5-9(12)10(4,11)7-6-8(2)3/h8H,5-7H2,1-4H3
InChIKeyLVGRRGLVLIYJQG-UHFFFAOYSA-N
XLogP3.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoropentan-3-one
CID 23462566
2-hydroxy-2,5-dimethylhexanamide
CID 62224009
(3-fluoro-3,7-dimethyl-2-oxooctoxy)-hydroxy-oxophosphanium
CID 88786117
3,3,6-trimethylheptan-2-one
CID 55274452
2-ethyl-2-(3-methylbutyl)propanedioyl dichloride
CID 22147568
ethyl 2,2-difluoro-3-hydroxy-3,6-dimethylheptanoate
CID 62398779
ethane;1,1,1-trifluoro-4-methylpentane
CID 142517870
2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane
CID 173040977
cobalt(2+);bis(2-ethyl-2,5-dimethylhexanoate)
CID 22833328
2,5,8-trimethylnonan-5-ol
CID 58574498
(4S)-4-amino-4,6-dimethylheptan-3-one
CID 138509881
2,2,5-trimethylhexanoyl 2,2,5-trimethylhexaneperoxoate
CID 21248465

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4,7-dimethyloctan-3-one?
The IUPAC name of 4-fluoro-4,7-dimethyloctan-3-one (CID 176990055) is 4-fluoro-4,7-dimethyloctan-3-one.
What is the SMILES notation for 4-fluoro-4,7-dimethyloctan-3-one?
The canonical SMILES for 4-fluoro-4,7-dimethyloctan-3-one is CCC(=O)C(C)(F)CCC(C)C.
What is the InChIKey of 4-fluoro-4,7-dimethyloctan-3-one?
The InChIKey is LVGRRGLVLIYJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO/c1-5-9(12)10(4,11)7-6-8(2)3/h8H,5-7H2,1-4H3.
What are the key properties of 4-fluoro-4,7-dimethyloctan-3-one?
4-fluoro-4,7-dimethyloctan-3-one has a molecular weight of 174.26 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4,7-dimethyloctan-3-one is sourced from PubChem (CID 176990055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).