fluoro(pentoxy)phosphinic acid

C5H12FO3P — CID 87391188

IUPACfluoro(pentoxy)phosphinic acid
SMILESCCCCCOP(=O)(O)F
InChIInChI=1S/C5H12FO3P/c1-2-3-4-5-9-10(6,7)8/h2-5H2,1H3,(H,7,8)
InChIKeyXQHBIVFSLPTWOF-UHFFFAOYSA-N
MW170.12 g/mol
LogP2.26
Rot. Bonds5

About fluoro(pentoxy)phosphinic acid

fluoro(pentoxy)phosphinic acid (PubChem CID 87391188) has the molecular formula C5H12FO3P and a molecular weight of 170.12 g/mol. Its IUPAC name is fluoro(pentoxy)phosphinic acid.

Molecular Properties

Compound Namefluoro(pentoxy)phosphinic acid
PubChem CID87391188
Molecular FormulaC5H12FO3P
Molecular Weight170.12 g/mol
Exact Mass170.05
IUPAC Namefluoro(pentoxy)phosphinic acid
SMILESCCCCCOP(=O)(O)F
InChIInChI=1S/C5H12FO3P/c1-2-3-4-5-9-10(6,7)8/h2-5H2,1H3,(H,7,8)
InChIKeyXQHBIVFSLPTWOF-UHFFFAOYSA-N
XLogP2.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze fluoro(pentoxy)phosphinic acid 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

Phosphoric acid, monopentyl ester
CID 61572
Phosphonic acid, monobutyl ester
CID 6327918
Pentyl trihydrogen diphosphate
CID 448673
Pentyl methylphosphonofluoridate
CID 518769
Butyl methylphosphonofluoridate
CID 520724
Pentyl ethylphosphonofluoridate
CID 519228
Phosphorofluoridic acid, dipropyl ester
CID 6451603
1-Difluorophosphoryloxybutane
CID 14529071
O-propylethylfluorophosphonate
CID 87128084
O-pentyl methylfluorophosphonate
CID 18692695
n-Propylmethylfluorophosphonate
CID 85794115
Dipentoxyfluorophosphine oxide
CID 85885641

Frequently Asked Questions

What is the IUPAC name of fluoro(pentoxy)phosphinic acid?
The IUPAC name of fluoro(pentoxy)phosphinic acid (CID 87391188) is fluoro(pentoxy)phosphinic acid.
What is the SMILES notation for fluoro(pentoxy)phosphinic acid?
The canonical SMILES for fluoro(pentoxy)phosphinic acid is CCCCCOP(=O)(O)F.
What is the InChIKey of fluoro(pentoxy)phosphinic acid?
The InChIKey is XQHBIVFSLPTWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FO3P/c1-2-3-4-5-9-10(6,7)8/h2-5H2,1H3,(H,7,8).
What are the key properties of fluoro(pentoxy)phosphinic acid?
fluoro(pentoxy)phosphinic acid has a molecular weight of 170.12 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(pentoxy)phosphinic acid is sourced from PubChem (CID 87391188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).