5-fluoro-2,2-dimethyldecan-3-one

C12H23FO — CID 22934364

IUPAC5-fluoro-2,2-dimethyldecan-3-one
SMILESCCCCCC(F)CC(=O)C(C)(C)C
InChIInChI=1S/C12H23FO/c1-5-6-7-8-10(13)9-11(14)12(2,3)4/h10H,5-9H2,1-4H3
InChIKeyKQECDUMVTTXUTQ-UHFFFAOYSA-N
MW202.31 g/mol
LogP3.91
Rot. Bonds6

About 5-fluoro-2,2-dimethyldecan-3-one

5-fluoro-2,2-dimethyldecan-3-one (PubChem CID 22934364) has the molecular formula C12H23FO and a molecular weight of 202.31 g/mol. Its IUPAC name is 5-fluoro-2,2-dimethyldecan-3-one.

Molecular Properties

Compound Name5-fluoro-2,2-dimethyldecan-3-one
PubChem CID22934364
Molecular FormulaC12H23FO
Molecular Weight202.31 g/mol
Exact Mass202.17
IUPAC Name5-fluoro-2,2-dimethyldecan-3-one
SMILESCCCCCC(F)CC(=O)C(C)(C)C
InChIInChI=1S/C12H23FO/c1-5-6-7-8-10(13)9-11(14)12(2,3)4/h10H,5-9H2,1-4H3
InChIKeyKQECDUMVTTXUTQ-UHFFFAOYSA-N
XLogP3.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.31
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6,10-difluoropentadecan-8-one
CID 57256733
2,2,5-trimethylundecan-3-one
CID 177435027
5-hydroxy-2,2-dimethyltetradecan-3-one
CID 24806529
(5R)-5-ethyl-2,2-dimethyldecan-3-one
CID 101155077
methyl 3-fluorononanoate
CID 57115724
[(5R)-2,2-dimethyl-3-oxohexadecan-5-yl] tetradecanoate
CID 166010633
2,2-dimethyl-4-octadecyldocosan-3-one
CID 169059642
4-fluorononane
CID 15062450
2-fluoroundecan-1-ol
CID 15918974
2-fluorotridecan-1-ol
CID 54139332
(2R)-2-fluorodecan-1-ol
CID 54309655
2-fluorononan-1-ol
CID 15918975

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,2-dimethyldecan-3-one?
The IUPAC name of 5-fluoro-2,2-dimethyldecan-3-one (CID 22934364) is 5-fluoro-2,2-dimethyldecan-3-one.
What is the SMILES notation for 5-fluoro-2,2-dimethyldecan-3-one?
The canonical SMILES for 5-fluoro-2,2-dimethyldecan-3-one is CCCCCC(F)CC(=O)C(C)(C)C.
What is the InChIKey of 5-fluoro-2,2-dimethyldecan-3-one?
The InChIKey is KQECDUMVTTXUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FO/c1-5-6-7-8-10(13)9-11(14)12(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of 5-fluoro-2,2-dimethyldecan-3-one?
5-fluoro-2,2-dimethyldecan-3-one has a molecular weight of 202.31 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,2-dimethyldecan-3-one is sourced from PubChem (CID 22934364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).