(2-amino-3-fluoropropyl) dihydrogen phosphate

C3H9FNO4P — CID 19927082

IUPAC(2-amino-3-fluoropropyl) dihydrogen phosphate
SMILESNC(CF)COP(=O)(O)O
InChIInChI=1S/C3H9FNO4P/c4-1-3(5)2-9-10(6,7)8/h3H,1-2,5H2,(H2,6,7,8)
InChIKeyXZCYEGUMDJDAEM-UHFFFAOYSA-N
MW173.08 g/mol
LogP-0.61
Rot. Bonds4

About (2-amino-3-fluoropropyl) dihydrogen phosphate

(2-amino-3-fluoropropyl) dihydrogen phosphate (PubChem CID 19927082) has the molecular formula C3H9FNO4P and a molecular weight of 173.08 g/mol. Its IUPAC name is (2-amino-3-fluoropropyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2-amino-3-fluoropropyl) dihydrogen phosphate
PubChem CID19927082
Molecular FormulaC3H9FNO4P
Molecular Weight173.08 g/mol
Exact Mass173.03
IUPAC Name(2-amino-3-fluoropropyl) dihydrogen phosphate
SMILESNC(CF)COP(=O)(O)O
InChIInChI=1S/C3H9FNO4P/c4-1-3(5)2-9-10(6,7)8/h3H,1-2,5H2,(H2,6,7,8)
InChIKeyXZCYEGUMDJDAEM-UHFFFAOYSA-N
XLogP-0.61
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.08
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-amino-3-fluoropropyl) dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-2-aminopropyl] dihydrogen phosphate
CID 91096185
2,3,4-trifluorobutyl dihydrogen phosphate
CID 90465448
[(2S)-2-aminopropyl] dihydrogen phosphate
CID 87075669
2-aminooct-4-enyl dihydrogen phosphate
CID 123623824
[(2R,3R)-3-amino-2,4-dihydroxybutyl] dihydrogen phosphate
CID 89155758
(2-amino-4-hydroxy-5-oxohept-6-enyl) dihydrogen phosphate
CID 174471720
2-amino-3-hydroxy-4-phosphonooxybutanoic acid
CID 1007
[(2R,3R,4S,5R)-2-amino-3,4,5-trihydroxy-6-phosphonooxyhexyl] dihydrogen phosphate
CID 156618029
2-amino-3-hydroxy-4-phosphonooxybutanoate
CID 1006
[(2S)-2-amino-3-(methylamino)-3-oxopropyl] dihydrogen phosphate
CID 14102760
[2-amino-3-(1H-imidazol-5-yl)propyl] dihydrogen phosphate
CID 845
[(3S,4R,5R)-5-amino-2,3,4-trihydroxy-6-oxohexyl] dihydrogen phosphate
CID 45109785

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-fluoropropyl) dihydrogen phosphate?
The IUPAC name of (2-amino-3-fluoropropyl) dihydrogen phosphate (CID 19927082) is (2-amino-3-fluoropropyl) dihydrogen phosphate.
What is the SMILES notation for (2-amino-3-fluoropropyl) dihydrogen phosphate?
The canonical SMILES for (2-amino-3-fluoropropyl) dihydrogen phosphate is NC(CF)COP(=O)(O)O.
What is the InChIKey of (2-amino-3-fluoropropyl) dihydrogen phosphate?
The InChIKey is XZCYEGUMDJDAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9FNO4P/c4-1-3(5)2-9-10(6,7)8/h3H,1-2,5H2,(H2,6,7,8).
What are the key properties of (2-amino-3-fluoropropyl) dihydrogen phosphate?
(2-amino-3-fluoropropyl) dihydrogen phosphate has a molecular weight of 173.08 g/mol, XLogP of -0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-fluoropropyl) dihydrogen phosphate is sourced from PubChem (CID 19927082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).