[(3R)-3-fluoro-2-oxoheptyl]phosphonic acid

C7H14FO4P — CID 88645077

IUPAC[(3R)-3-fluoro-2-oxoheptyl]phosphonic acid
SMILESCCCC[C@@H](F)C(=O)CP(=O)(O)O
InChIInChI=1S/C7H14FO4P/c1-2-3-4-6(8)7(9)5-13(10,11)12/h6H,2-5H2,1H3,(H2,10,11,12)/t6-/m1/s1
InChIKeyXZMHBGBIOLTYCU-ZCFIWIBFSA-N
MW212.16 g/mol
LogP1.26
Rot. Bonds6

About [(3R)-3-fluoro-2-oxoheptyl]phosphonic acid

[(3R)-3-fluoro-2-oxoheptyl]phosphonic acid (PubChem CID 88645077) has the molecular formula C7H14FO4P and a molecular weight of 212.16 g/mol. Its IUPAC name is [(3R)-3-fluoro-2-oxoheptyl]phosphonic acid.

Molecular Properties

Compound Name[(3R)-3-fluoro-2-oxoheptyl]phosphonic acid
PubChem CID88645077
Molecular FormulaC7H14FO4P
Molecular Weight212.16 g/mol
Exact Mass212.06
IUPAC Name[(3R)-3-fluoro-2-oxoheptyl]phosphonic acid
SMILESCCCC[C@@H](F)C(=O)CP(=O)(O)O
InChIInChI=1S/C7H14FO4P/c1-2-3-4-6(8)7(9)5-13(10,11)12/h6H,2-5H2,1H3,(H2,10,11,12)/t6-/m1/s1
InChIKeyXZMHBGBIOLTYCU-ZCFIWIBFSA-N
XLogP1.26
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-dimethoxyphosphoryl-3-fluorononan-2-one
CID 15003083
3-fluoro-1-[methoxy(methyl)phosphoryl]oxyheptan-2-one
CID 57017592
hexatriacontan-18-ylphosphonic acid;neodymium
CID 159988610
2-fluoroundecanoic acid
CID 24976101
butylphosphonic acid;neodymium
CID 134499527
ethyl (2R)-2-fluoroheptanoate
CID 102068873
1-phosphonododecylphosphonic acid
CID 6454178
1-phosphonoicosylphosphonic acid
CID 139609780
fluoro 2-fluorohexanoate;hydrochloride
CID 174751179
2-fluorododecanoyl 2-fluorododecaneperoxoate
CID 175410514
4-chlorooctylphosphonic acid
CID 87857502
3-fluoro-1-phenyloctan-2-one
CID 14645308

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-fluoro-2-oxoheptyl]phosphonic acid?
The IUPAC name of [(3R)-3-fluoro-2-oxoheptyl]phosphonic acid (CID 88645077) is [(3R)-3-fluoro-2-oxoheptyl]phosphonic acid.
What is the SMILES notation for [(3R)-3-fluoro-2-oxoheptyl]phosphonic acid?
The canonical SMILES for [(3R)-3-fluoro-2-oxoheptyl]phosphonic acid is CCCC[C@@H](F)C(=O)CP(=O)(O)O.
What is the InChIKey of [(3R)-3-fluoro-2-oxoheptyl]phosphonic acid?
The InChIKey is XZMHBGBIOLTYCU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14FO4P/c1-2-3-4-6(8)7(9)5-13(10,11)12/h6H,2-5H2,1H3,(H2,10,11,12)/t6-/m1/s1.
What are the key properties of [(3R)-3-fluoro-2-oxoheptyl]phosphonic acid?
[(3R)-3-fluoro-2-oxoheptyl]phosphonic acid has a molecular weight of 212.16 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-fluoro-2-oxoheptyl]phosphonic acid is sourced from PubChem (CID 88645077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).