(1-butylcyclopentyl)oxy-fluorophosphinic acid

C9H18FO3P — CID 150124929

IUPAC(1-butylcyclopentyl)oxy-fluorophosphinic acid
SMILESCCCCC1(OP(=O)(O)F)CCCC1
InChIInChI=1S/C9H18FO3P/c1-2-3-6-9(7-4-5-8-9)13-14(10,11)12/h2-8H2,1H3,(H,11,12)
InChIKeyFAACDUFEFNEZOM-UHFFFAOYSA-N
MW224.21 g/mol
LogP3.58
Rot. Bonds5

About (1-butylcyclopentyl)oxy-fluorophosphinic acid

(1-butylcyclopentyl)oxy-fluorophosphinic acid (PubChem CID 150124929) has the molecular formula C9H18FO3P and a molecular weight of 224.21 g/mol. Its IUPAC name is (1-butylcyclopentyl)oxy-fluorophosphinic acid.

Molecular Properties

Compound Name(1-butylcyclopentyl)oxy-fluorophosphinic acid
PubChem CID150124929
Molecular FormulaC9H18FO3P
Molecular Weight224.21 g/mol
Exact Mass224.10
IUPAC Name(1-butylcyclopentyl)oxy-fluorophosphinic acid
SMILESCCCCC1(OP(=O)(O)F)CCCC1
InChIInChI=1S/C9H18FO3P/c1-2-3-6-9(7-4-5-8-9)13-14(10,11)12/h2-8H2,1H3,(H,11,12)
InChIKeyFAACDUFEFNEZOM-UHFFFAOYSA-N
XLogP3.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl (1-propylcyclopentyl) hydrogen phosphate
CID 139845994
1-butyl-1-hydroperoxycyclohexane
CID 18362273
[1-(2-pentylnonyl)cyclohexyl] dihydrogen phosphate
CID 54558864
[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoroacetate
CID 58225766
2-(1-butylcyclohexyl)oxyethanol
CID 141443890
(1-ethylcyclohexyl) fluoro hydrogen phosphate
CID 175012184
1-butyl-1-(2-methoxyethoxymethoxy)cyclohexane
CID 13180892
(1-butylcyclopentyl) 2-methylbutanoate
CID 58776787
bis(1-pentylcyclohexyl) butanedioate
CID 174843513
(1-pentylcyclohexyl) butanoate
CID 101311537
(1-butylcyclohexyl)oxymethyl hypobromite
CID 134895111
fluorophosphonic acid;hexane;hydrobromide
CID 175894647

Frequently Asked Questions

What is the IUPAC name of (1-butylcyclopentyl)oxy-fluorophosphinic acid?
The IUPAC name of (1-butylcyclopentyl)oxy-fluorophosphinic acid (CID 150124929) is (1-butylcyclopentyl)oxy-fluorophosphinic acid.
What is the SMILES notation for (1-butylcyclopentyl)oxy-fluorophosphinic acid?
The canonical SMILES for (1-butylcyclopentyl)oxy-fluorophosphinic acid is CCCCC1(OP(=O)(O)F)CCCC1.
What is the InChIKey of (1-butylcyclopentyl)oxy-fluorophosphinic acid?
The InChIKey is FAACDUFEFNEZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FO3P/c1-2-3-6-9(7-4-5-8-9)13-14(10,11)12/h2-8H2,1H3,(H,11,12).
What are the key properties of (1-butylcyclopentyl)oxy-fluorophosphinic acid?
(1-butylcyclopentyl)oxy-fluorophosphinic acid has a molecular weight of 224.21 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylcyclopentyl)oxy-fluorophosphinic acid is sourced from PubChem (CID 150124929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).