(1-ethylcyclohexyl) fluoro hydrogen phosphate

C8H16FO4P — CID 175012184

IUPAC(1-ethylcyclohexyl) fluoro hydrogen phosphate
SMILESCCC1(OP(=O)(O)OF)CCCCC1
InChIInChI=1S/C8H16FO4P/c1-2-8(6-4-3-5-7-8)12-14(10,11)13-9/h2-7H2,1H3,(H,10,11)
InChIKeyAYYSSLHIYMQCFP-UHFFFAOYSA-N
MW226.18 g/mol
LogP3.12
Rot. Bonds4

About (1-ethylcyclohexyl) fluoro hydrogen phosphate

(1-ethylcyclohexyl) fluoro hydrogen phosphate (PubChem CID 175012184) has the molecular formula C8H16FO4P and a molecular weight of 226.18 g/mol. Its IUPAC name is (1-ethylcyclohexyl) fluoro hydrogen phosphate.

Molecular Properties

Compound Name(1-ethylcyclohexyl) fluoro hydrogen phosphate
PubChem CID175012184
Molecular FormulaC8H16FO4P
Molecular Weight226.18 g/mol
Exact Mass226.08
IUPAC Name(1-ethylcyclohexyl) fluoro hydrogen phosphate
SMILESCCC1(OP(=O)(O)OF)CCCCC1
InChIInChI=1S/C8H16FO4P/c1-2-8(6-4-3-5-7-8)12-14(10,11)13-9/h2-7H2,1H3,(H,10,11)
InChIKeyAYYSSLHIYMQCFP-UHFFFAOYSA-N
XLogP3.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1-ethylcyclohexyl) fluoro hydrogen 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

butyl (1-propylcyclopentyl) hydrogen phosphate
CID 139845994
(1-butylcyclopentyl)oxy-fluorophosphinic acid
CID 150124929
1-ethyl-1-methoxycyclohexane
CID 21039859
(1-ethylcyclohexyl) methyl carbonate
CID 59539840
2-(1-ethylcyclopentyl)oxy-1,1-difluoro-2-oxoethanesulfonic acid
CID 170287788
(1-ethylcyclohexyl) cyclopropanecarboxylate
CID 147138971
(1-ethylcyclopentyl) methyl carbonate
CID 59539839
bis(1-ethylcyclopentyl) sulfite
CID 87154508
bis(1,2-diethylcyclohexyl) hydrogen phosphate
CID 67296328
[1-(2-pentylnonyl)cyclohexyl] dihydrogen phosphate
CID 54558864
bis(1-ethylcyclohexyl) benzene-1,4-dicarboxylate
CID 70018713
bis(1-ethylcyclohexyl) cyclohexane-1,2-dicarboxylate
CID 67386872

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclohexyl) fluoro hydrogen phosphate?
The IUPAC name of (1-ethylcyclohexyl) fluoro hydrogen phosphate (CID 175012184) is (1-ethylcyclohexyl) fluoro hydrogen phosphate.
What is the SMILES notation for (1-ethylcyclohexyl) fluoro hydrogen phosphate?
The canonical SMILES for (1-ethylcyclohexyl) fluoro hydrogen phosphate is CCC1(OP(=O)(O)OF)CCCCC1.
What is the InChIKey of (1-ethylcyclohexyl) fluoro hydrogen phosphate?
The InChIKey is AYYSSLHIYMQCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FO4P/c1-2-8(6-4-3-5-7-8)12-14(10,11)13-9/h2-7H2,1H3,(H,10,11).
What are the key properties of (1-ethylcyclohexyl) fluoro hydrogen phosphate?
(1-ethylcyclohexyl) fluoro hydrogen phosphate has a molecular weight of 226.18 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclohexyl) fluoro hydrogen phosphate is sourced from PubChem (CID 175012184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).