ethoxy-[2-(1-fluorocyclopentyl)-2-oxoethyl]phosphinic acid

C9H16FO4P — CID 88617051

IUPACethoxy-[2-(1-fluorocyclopentyl)-2-oxoethyl]phosphinic acid
SMILESCCOP(=O)(O)CC(=O)C1(F)CCCC1
InChIInChI=1S/C9H16FO4P/c1-2-14-15(12,13)7-8(11)9(10)5-3-4-6-9/h2-7H2,1H3,(H,12,13)
InChIKeyHJBNQGHOQHAMFU-UHFFFAOYSA-N
MW238.19 g/mol
LogP2.06
Rot. Bonds5

About ethoxy-[2-(1-fluorocyclopentyl)-2-oxoethyl]phosphinic acid

ethoxy-[2-(1-fluorocyclopentyl)-2-oxoethyl]phosphinic acid (PubChem CID 88617051) has the molecular formula C9H16FO4P and a molecular weight of 238.19 g/mol. Its IUPAC name is ethoxy-[2-(1-fluorocyclopentyl)-2-oxoethyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[2-(1-fluorocyclopentyl)-2-oxoethyl]phosphinic acid
PubChem CID88617051
Molecular FormulaC9H16FO4P
Molecular Weight238.19 g/mol
Exact Mass238.08
IUPAC Nameethoxy-[2-(1-fluorocyclopentyl)-2-oxoethyl]phosphinic acid
SMILESCCOP(=O)(O)CC(=O)C1(F)CCCC1
InChIInChI=1S/C9H16FO4P/c1-2-14-15(12,13)7-8(11)9(10)5-3-4-6-9/h2-7H2,1H3,(H,12,13)
InChIKeyHJBNQGHOQHAMFU-UHFFFAOYSA-N
XLogP2.06
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethoxy-[2-(1-fluorocyclopentyl)-2-oxoethyl]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

[2-[1-(4-chlorophenyl)cyclopropyl]-2-oxoethyl]-ethoxyphosphinic acid
CID 87371568
ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid
CID 3613986
ethoxy-(2-methoxy-2-oxoethyl)phosphinic acid
CID 86208858
ethyl 1-fluorocyclopentane-1-carboxylate
CID 14460277
ethoxy(fluoromethyl)phosphinic acid
CID 150160120
(3-cyclopropyl-2-oxopropyl)-ethoxyphosphinic acid
CID 87598523
azanium 1-diethoxyphosphorylcyclopentane-1-carboxylate
CID 2840419
tert-butyl 1-diethoxyphosphorylcyclopentane-1-carboxylate
CID 11808932
ethoxy-[3-[(2,2,2-trifluoroacetyl)amino]propyl]phosphinic acid
CID 59131645
1-(diethoxyphosphorylmethyl)cyclopentane-1-carboxylic acid
CID 54082256
diethyl hydrogen phosphate;1,3-dimethyl-2H-imidazole
CID 162039281
1,1-bis(diethoxyphosphoryl)cyclohexane
CID 14689987

Frequently Asked Questions

What is the IUPAC name of ethoxy-[2-(1-fluorocyclopentyl)-2-oxoethyl]phosphinic acid?
The IUPAC name of ethoxy-[2-(1-fluorocyclopentyl)-2-oxoethyl]phosphinic acid (CID 88617051) is ethoxy-[2-(1-fluorocyclopentyl)-2-oxoethyl]phosphinic acid.
What is the SMILES notation for ethoxy-[2-(1-fluorocyclopentyl)-2-oxoethyl]phosphinic acid?
The canonical SMILES for ethoxy-[2-(1-fluorocyclopentyl)-2-oxoethyl]phosphinic acid is CCOP(=O)(O)CC(=O)C1(F)CCCC1.
What is the InChIKey of ethoxy-[2-(1-fluorocyclopentyl)-2-oxoethyl]phosphinic acid?
The InChIKey is HJBNQGHOQHAMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FO4P/c1-2-14-15(12,13)7-8(11)9(10)5-3-4-6-9/h2-7H2,1H3,(H,12,13).
What are the key properties of ethoxy-[2-(1-fluorocyclopentyl)-2-oxoethyl]phosphinic acid?
ethoxy-[2-(1-fluorocyclopentyl)-2-oxoethyl]phosphinic acid has a molecular weight of 238.19 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[2-(1-fluorocyclopentyl)-2-oxoethyl]phosphinic acid is sourced from PubChem (CID 88617051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).