3-aminopropyl-[(4-fluorophenyl)methyl]phosphinic acid

C10H15FNO2P — CID 10331452

IUPAC3-aminopropyl-[(4-fluorophenyl)methyl]phosphinic acid
SMILESNCCCP(=O)(O)Cc1ccc(F)cc1
InChIInChI=1S/C10H15FNO2P/c11-10-4-2-9(3-5-10)8-15(13,14)7-1-6-12/h2-5H,1,6-8,12H2,(H,13,14)
InChIKeyMVAREGAKIBHVLF-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.94
Rot. Bonds5

About 3-aminopropyl-[(4-fluorophenyl)methyl]phosphinic acid

3-aminopropyl-[(4-fluorophenyl)methyl]phosphinic acid (PubChem CID 10331452) has the molecular formula C10H15FNO2P and a molecular weight of 231.21 g/mol. Its IUPAC name is 3-aminopropyl-[(4-fluorophenyl)methyl]phosphinic acid.

Molecular Properties

Compound Name3-aminopropyl-[(4-fluorophenyl)methyl]phosphinic acid
PubChem CID10331452
Molecular FormulaC10H15FNO2P
Molecular Weight231.21 g/mol
Exact Mass231.08
IUPAC Name3-aminopropyl-[(4-fluorophenyl)methyl]phosphinic acid
SMILESNCCCP(=O)(O)Cc1ccc(F)cc1
InChIInChI=1S/C10H15FNO2P/c11-10-4-2-9(3-5-10)8-15(13,14)7-1-6-12/h2-5H,1,6-8,12H2,(H,13,14)
InChIKeyMVAREGAKIBHVLF-UHFFFAOYSA-N
XLogP1.94
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl-[(4-fluorophenyl)methyl]phosphinic acid?
The IUPAC name of 3-aminopropyl-[(4-fluorophenyl)methyl]phosphinic acid (CID 10331452) is 3-aminopropyl-[(4-fluorophenyl)methyl]phosphinic acid.
What is the SMILES notation for 3-aminopropyl-[(4-fluorophenyl)methyl]phosphinic acid?
The canonical SMILES for 3-aminopropyl-[(4-fluorophenyl)methyl]phosphinic acid is NCCCP(=O)(O)Cc1ccc(F)cc1.
What is the InChIKey of 3-aminopropyl-[(4-fluorophenyl)methyl]phosphinic acid?
The InChIKey is MVAREGAKIBHVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FNO2P/c11-10-4-2-9(3-5-10)8-15(13,14)7-1-6-12/h2-5H,1,6-8,12H2,(H,13,14).
What are the key properties of 3-aminopropyl-[(4-fluorophenyl)methyl]phosphinic acid?
3-aminopropyl-[(4-fluorophenyl)methyl]phosphinic acid has a molecular weight of 231.21 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl-[(4-fluorophenyl)methyl]phosphinic acid is sourced from PubChem (CID 10331452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).