3,3-difluoro-1-[methoxy(methyl)phosphoryl]oxynonan-2-one

C11H21F2O4P — CID 57176391

IUPAC3,3-difluoro-1-[methoxy(methyl)phosphoryl]oxynonan-2-one
SMILESCCCCCCC(F)(F)C(=O)COP(C)(=O)OC
InChIInChI=1S/C11H21F2O4P/c1-4-5-6-7-8-11(12,13)10(14)9-17-18(3,15)16-2/h4-9H2,1-3H3
InChIKeyPZSMONWWKKCWDV-UHFFFAOYSA-N
MW286.25 g/mol
LogP3.65
Rot. Bonds10

About 3,3-difluoro-1-[methoxy(methyl)phosphoryl]oxynonan-2-one

3,3-difluoro-1-[methoxy(methyl)phosphoryl]oxynonan-2-one (PubChem CID 57176391) has the molecular formula C11H21F2O4P and a molecular weight of 286.25 g/mol. Its IUPAC name is 3,3-difluoro-1-[methoxy(methyl)phosphoryl]oxynonan-2-one.

Molecular Properties

Compound Name3,3-difluoro-1-[methoxy(methyl)phosphoryl]oxynonan-2-one
PubChem CID57176391
Molecular FormulaC11H21F2O4P
Molecular Weight286.25 g/mol
Exact Mass286.11
IUPAC Name3,3-difluoro-1-[methoxy(methyl)phosphoryl]oxynonan-2-one
SMILESCCCCCCC(F)(F)C(=O)COP(C)(=O)OC
InChIInChI=1S/C11H21F2O4P/c1-4-5-6-7-8-11(12,13)10(14)9-17-18(3,15)16-2/h4-9H2,1-3H3
InChIKeyPZSMONWWKKCWDV-UHFFFAOYSA-N
XLogP3.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 53.65
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

(3,3-difluoro-2-oxoheptyl) dihydrogen phosphate
CID 175397568
1-dimethoxyphosphoryl-3,3-difluoroheptan-2-one
CID 11118722
5,5-difluorodecan-4-one
CID 137420614
3-fluoro-1-[methoxy(methyl)phosphoryl]oxyheptan-2-one
CID 57017592
methyl 2,2-difluoroheptadecanoate
CID 150501536
methyl 2,2-difluorodecanoate
CID 22025599
3,3-difluoroheptan-2-one;3,3-difluoro-1-[methoxy(methyl)phosphoryl]heptan-2-one
CID 161084046
1-[methoxy(methyl)phosphoryl]oxypentan-2-one
CID 88842238
2,2-difluoro-N-methoxy-N-methyltetradecanamide
CID 89479266
2,2-difluoroheptanoic acid
CID 14928309
2,2-difluorohexadecanoic acid;molecular hydrogen
CID 91802263
2,2-dichloro-1-dimethoxyphosphoryltetradecan-1-one
CID 134918983

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[methoxy(methyl)phosphoryl]oxynonan-2-one?
The IUPAC name of 3,3-difluoro-1-[methoxy(methyl)phosphoryl]oxynonan-2-one (CID 57176391) is 3,3-difluoro-1-[methoxy(methyl)phosphoryl]oxynonan-2-one.
What is the SMILES notation for 3,3-difluoro-1-[methoxy(methyl)phosphoryl]oxynonan-2-one?
The canonical SMILES for 3,3-difluoro-1-[methoxy(methyl)phosphoryl]oxynonan-2-one is CCCCCCC(F)(F)C(=O)COP(C)(=O)OC.
What is the InChIKey of 3,3-difluoro-1-[methoxy(methyl)phosphoryl]oxynonan-2-one?
The InChIKey is PZSMONWWKKCWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2O4P/c1-4-5-6-7-8-11(12,13)10(14)9-17-18(3,15)16-2/h4-9H2,1-3H3.
What are the key properties of 3,3-difluoro-1-[methoxy(methyl)phosphoryl]oxynonan-2-one?
3,3-difluoro-1-[methoxy(methyl)phosphoryl]oxynonan-2-one has a molecular weight of 286.25 g/mol, XLogP of 3.65, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[methoxy(methyl)phosphoryl]oxynonan-2-one is sourced from PubChem (CID 57176391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).