[2-[1-fluoro-2-(methylamino)-2-oxoethyl]phenyl] dihydrogen phosphate

C9H11FNO5P — CID 138717416

IUPAC[2-[1-fluoro-2-(methylamino)-2-oxoethyl]phenyl] dihydrogen phosphate
SMILESCNC(=O)C(F)c1ccccc1OP(=O)(O)O
InChIInChI=1S/C9H11FNO5P/c1-11-9(12)8(10)6-4-2-3-5-7(6)16-17(13,14)15/h2-5,8H,1H3,(H,11,12)(H2,13,14,15)
InChIKeyPVXIUEBVDSMMDG-UHFFFAOYSA-N
MW263.16 g/mol
LogP0.91
Rot. Bonds4

About [2-[1-fluoro-2-(methylamino)-2-oxoethyl]phenyl] dihydrogen phosphate

[2-[1-fluoro-2-(methylamino)-2-oxoethyl]phenyl] dihydrogen phosphate (PubChem CID 138717416) has the molecular formula C9H11FNO5P and a molecular weight of 263.16 g/mol. Its IUPAC name is [2-[1-fluoro-2-(methylamino)-2-oxoethyl]phenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[2-[1-fluoro-2-(methylamino)-2-oxoethyl]phenyl] dihydrogen phosphate
PubChem CID138717416
Molecular FormulaC9H11FNO5P
Molecular Weight263.16 g/mol
Exact Mass263.04
IUPAC Name[2-[1-fluoro-2-(methylamino)-2-oxoethyl]phenyl] dihydrogen phosphate
SMILESCNC(=O)C(F)c1ccccc1OP(=O)(O)O
InChIInChI=1S/C9H11FNO5P/c1-11-9(12)8(10)6-4-2-3-5-7(6)16-17(13,14)15/h2-5,8H,1H3,(H,11,12)(H2,13,14,15)
InChIKeyPVXIUEBVDSMMDG-UHFFFAOYSA-N
XLogP0.91
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[1-fluoro-2-oxo-2-(propylamino)ethyl]phenyl] dihydrogen phosphate
CID 158731813
[2-[2-(tert-butylamino)-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate
CID 167060881
[2-[2-[[4-(tert-butylamino)-2,4-dimethylpentan-2-yl]amino]-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate
CID 138717532
[2-(difluoromethyl)phenyl] dihydrogen phosphate
CID 69493795
[2-(1-fluoro-6,6-dimethyl-2-oxoheptyl)phenyl] dihydrogen phosphate
CID 147919149
2-fluoro-2-[2-(3-fluorophenyl)phenyl]-N-methylacetamide
CID 58433967
(2-fluorosulfonylphenyl) dihydrogen phosphate
CID 175215288
lithium;(2-aminophenyl) dihydrogen phosphate;hydride
CID 175194411
(2-tritylphenyl) dihydrogen phosphate
CID 69421021
2-[2-(3,5-dimethylphenoxy)phenyl]-2-methoxy-N-methylacetamide
CID 101177983
(2-chlorophenyl) dihydrogen phosphate dichloride
CID 20976937
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824

Frequently Asked Questions

What is the IUPAC name of [2-[1-fluoro-2-(methylamino)-2-oxoethyl]phenyl] dihydrogen phosphate?
The IUPAC name of [2-[1-fluoro-2-(methylamino)-2-oxoethyl]phenyl] dihydrogen phosphate (CID 138717416) is [2-[1-fluoro-2-(methylamino)-2-oxoethyl]phenyl] dihydrogen phosphate.
What is the SMILES notation for [2-[1-fluoro-2-(methylamino)-2-oxoethyl]phenyl] dihydrogen phosphate?
The canonical SMILES for [2-[1-fluoro-2-(methylamino)-2-oxoethyl]phenyl] dihydrogen phosphate is CNC(=O)C(F)c1ccccc1OP(=O)(O)O.
What is the InChIKey of [2-[1-fluoro-2-(methylamino)-2-oxoethyl]phenyl] dihydrogen phosphate?
The InChIKey is PVXIUEBVDSMMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FNO5P/c1-11-9(12)8(10)6-4-2-3-5-7(6)16-17(13,14)15/h2-5,8H,1H3,(H,11,12)(H2,13,14,15).
What are the key properties of [2-[1-fluoro-2-(methylamino)-2-oxoethyl]phenyl] dihydrogen phosphate?
[2-[1-fluoro-2-(methylamino)-2-oxoethyl]phenyl] dihydrogen phosphate has a molecular weight of 263.16 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-fluoro-2-(methylamino)-2-oxoethyl]phenyl] dihydrogen phosphate is sourced from PubChem (CID 138717416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).