1-dimethoxyphosphoryl-3-fluorononan-2-one

C11H22FO4P — CID 15003083

IUPAC1-dimethoxyphosphoryl-3-fluorononan-2-one
SMILESCCCCCCC(F)C(=O)CP(=O)(OC)OC
InChIInChI=1S/C11H22FO4P/c1-4-5-6-7-8-10(12)11(13)9-17(14,15-2)16-3/h10H,4-9H2,1-3H3
InChIKeyUOTFFQQWKNPHIL-UHFFFAOYSA-N
MW268.26 g/mol
LogP3.35
Rot. Bonds10

About 1-dimethoxyphosphoryl-3-fluorononan-2-one

1-dimethoxyphosphoryl-3-fluorononan-2-one (PubChem CID 15003083) has the molecular formula C11H22FO4P and a molecular weight of 268.26 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-3-fluorononan-2-one.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-3-fluorononan-2-one
PubChem CID15003083
Molecular FormulaC11H22FO4P
Molecular Weight268.26 g/mol
Exact Mass268.12
IUPAC Name1-dimethoxyphosphoryl-3-fluorononan-2-one
SMILESCCCCCCC(F)C(=O)CP(=O)(OC)OC
InChIInChI=1S/C11H22FO4P/c1-4-5-6-7-8-10(12)11(13)9-17(14,15-2)16-3/h10H,4-9H2,1-3H3
InChIKeyUOTFFQQWKNPHIL-UHFFFAOYSA-N
XLogP3.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-3-fluoro-2-oxoheptyl]phosphonic acid
CID 88645077
3-fluoro-1-[methoxy(methyl)phosphoryl]oxyheptan-2-one
CID 57017592
1-dimethoxyphosphoryl-3-ethylhexan-2-one
CID 21328894
methyl 2-fluorododecanoate
CID 86171800
methyl (2R)-2-fluorodecanoate
CID 11333185
1-dimethoxyphosphorylpentadecan-2-one
CID 11013076
2-fluorododecanoyl 2-fluorododecaneperoxoate
CID 175410514
1-dimethoxyphosphoryltridecan-2-ol
CID 15584231
2-fluoroundecanoic acid
CID 24976101
1-dimethoxyphosphoryltridecan-3-ol
CID 10425403
ethyl (2R)-2-fluoroheptanoate
CID 102068873
1-dimethoxyphosphoryl-3,3-difluoroheptan-2-one
CID 11118722

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-3-fluorononan-2-one?
The IUPAC name of 1-dimethoxyphosphoryl-3-fluorononan-2-one (CID 15003083) is 1-dimethoxyphosphoryl-3-fluorononan-2-one.
What is the SMILES notation for 1-dimethoxyphosphoryl-3-fluorononan-2-one?
The canonical SMILES for 1-dimethoxyphosphoryl-3-fluorononan-2-one is CCCCCCC(F)C(=O)CP(=O)(OC)OC.
What is the InChIKey of 1-dimethoxyphosphoryl-3-fluorononan-2-one?
The InChIKey is UOTFFQQWKNPHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FO4P/c1-4-5-6-7-8-10(12)11(13)9-17(14,15-2)16-3/h10H,4-9H2,1-3H3.
What are the key properties of 1-dimethoxyphosphoryl-3-fluorononan-2-one?
1-dimethoxyphosphoryl-3-fluorononan-2-one has a molecular weight of 268.26 g/mol, XLogP of 3.35, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-3-fluorononan-2-one is sourced from PubChem (CID 15003083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).