2-fluoro-2,3-dimethyl-1-(2-methylbutylphosphanyl)butan-1-one

C11H22FOP — CID 138672233

IUPAC2-fluoro-2,3-dimethyl-1-(2-methylbutylphosphanyl)butan-1-one
SMILESCCC(C)CPC(=O)C(C)(F)C(C)C
InChIInChI=1S/C11H22FOP/c1-6-9(4)7-14-10(13)11(5,12)8(2)3/h8-9,14H,6-7H2,1-5H3
InChIKeyREJJFFVEFMPZSB-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.62
Rot. Bonds6

About 2-fluoro-2,3-dimethyl-1-(2-methylbutylphosphanyl)butan-1-one

2-fluoro-2,3-dimethyl-1-(2-methylbutylphosphanyl)butan-1-one (PubChem CID 138672233) has the molecular formula C11H22FOP and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-fluoro-2,3-dimethyl-1-(2-methylbutylphosphanyl)butan-1-one.

Molecular Properties

Compound Name2-fluoro-2,3-dimethyl-1-(2-methylbutylphosphanyl)butan-1-one
PubChem CID138672233
Molecular FormulaC11H22FOP
Molecular Weight220.27 g/mol
Exact Mass220.14
IUPAC Name2-fluoro-2,3-dimethyl-1-(2-methylbutylphosphanyl)butan-1-one
SMILESCCC(C)CPC(=O)C(C)(F)C(C)C
InChIInChI=1S/C11H22FOP/c1-6-9(4)7-14-10(13)11(5,12)8(2)3/h8-9,14H,6-7H2,1-5H3
InChIKeyREJJFFVEFMPZSB-UHFFFAOYSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-2,5-dimethylheptan-3-one
CID 130562222
3-fluoro-3,5-dimethylheptane
CID 123257807
2-fluoro-4-methyl-2-propan-2-ylhexanamide
CID 139916528
carbonic acid;3-methylpentane
CID 173481374
tert-butyl (3R)-3-methylpentanoate
CID 158245009
2,2-difluorobutane;ethane;3-methylpentane
CID 145386582
3-fluoro-2,3-dimethyl-4-methylidenehexane
CID 143721817
3-ethyl-2-fluoro-2,4-dimethylhexanoic acid
CID 134225925
2,2,4-trimethylhexanoic acid
CID 15564208
(5R)-5-methylheptan-3-one
CID 6566014
4,4,4-trifluoro-3-[methyl(2-methylbutyl)amino]butanoic acid
CID 63067747
tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2,2,4-trimethylhexane
CID 169428052

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,3-dimethyl-1-(2-methylbutylphosphanyl)butan-1-one?
The IUPAC name of 2-fluoro-2,3-dimethyl-1-(2-methylbutylphosphanyl)butan-1-one (CID 138672233) is 2-fluoro-2,3-dimethyl-1-(2-methylbutylphosphanyl)butan-1-one.
What is the SMILES notation for 2-fluoro-2,3-dimethyl-1-(2-methylbutylphosphanyl)butan-1-one?
The canonical SMILES for 2-fluoro-2,3-dimethyl-1-(2-methylbutylphosphanyl)butan-1-one is CCC(C)CPC(=O)C(C)(F)C(C)C.
What is the InChIKey of 2-fluoro-2,3-dimethyl-1-(2-methylbutylphosphanyl)butan-1-one?
The InChIKey is REJJFFVEFMPZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FOP/c1-6-9(4)7-14-10(13)11(5,12)8(2)3/h8-9,14H,6-7H2,1-5H3.
What are the key properties of 2-fluoro-2,3-dimethyl-1-(2-methylbutylphosphanyl)butan-1-one?
2-fluoro-2,3-dimethyl-1-(2-methylbutylphosphanyl)butan-1-one has a molecular weight of 220.27 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,3-dimethyl-1-(2-methylbutylphosphanyl)butan-1-one is sourced from PubChem (CID 138672233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).