ethyl 2-(1-fluoro-4-propylcyclohexyl)-2-hydroxyacetate

C13H23FO3 — CID 165450789

IUPACethyl 2-(1-fluoro-4-propylcyclohexyl)-2-hydroxyacetate
SMILESCCCC1CCC(F)(C(O)C(=O)OCC)CC1
InChIInChI=1S/C13H23FO3/c1-3-5-10-6-8-13(14,9-7-10)11(15)12(16)17-4-2/h10-11,15H,3-9H2,1-2H3
InChIKeyUTNSIZJNDSILDQ-UHFFFAOYSA-N
MW246.32 g/mol
LogP2.61
Rot. Bonds5

About ethyl 2-(1-fluoro-4-propylcyclohexyl)-2-hydroxyacetate

ethyl 2-(1-fluoro-4-propylcyclohexyl)-2-hydroxyacetate (PubChem CID 165450789) has the molecular formula C13H23FO3 and a molecular weight of 246.32 g/mol. Its IUPAC name is ethyl 2-(1-fluoro-4-propylcyclohexyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(1-fluoro-4-propylcyclohexyl)-2-hydroxyacetate
PubChem CID165450789
Molecular FormulaC13H23FO3
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Nameethyl 2-(1-fluoro-4-propylcyclohexyl)-2-hydroxyacetate
SMILESCCCC1CCC(F)(C(O)C(=O)OCC)CC1
InChIInChI=1S/C13H23FO3/c1-3-5-10-6-8-13(14,9-7-10)11(15)12(16)17-4-2/h10-11,15H,3-9H2,1-2H3
InChIKeyUTNSIZJNDSILDQ-UHFFFAOYSA-N
XLogP2.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(1-fluorocyclopentyl)-2-hydroxyacetate
CID 12728534
ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate
CID 65052370
ethyl 2-(1-amino-4-propylcyclohexyl)acetate
CID 79848370
ethyl 2-[1-(aminomethyl)-4-ethylcyclohexyl]-2-hydroxyacetate
CID 79125049
ethyl N-(4-propylcyclohexyl)carbamate
CID 61381222
1-(2-methylpropoxy)-4-propylcyclohexane-1-carboxylic acid
CID 114991682
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N,N-diethylacetamide
CID 65052460
ethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate
CID 54963755
ethyl 1-(butan-2-ylamino)-4-propylcycloheptane-1-carboxylate
CID 65089169
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853
(1-methoxy-4-propylcyclohexyl)methanamine
CID 62107282
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-pentan-3-ylacetamide
CID 65052321

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-fluoro-4-propylcyclohexyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(1-fluoro-4-propylcyclohexyl)-2-hydroxyacetate (CID 165450789) is ethyl 2-(1-fluoro-4-propylcyclohexyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(1-fluoro-4-propylcyclohexyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(1-fluoro-4-propylcyclohexyl)-2-hydroxyacetate is CCCC1CCC(F)(C(O)C(=O)OCC)CC1.
What is the InChIKey of ethyl 2-(1-fluoro-4-propylcyclohexyl)-2-hydroxyacetate?
The InChIKey is UTNSIZJNDSILDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FO3/c1-3-5-10-6-8-13(14,9-7-10)11(15)12(16)17-4-2/h10-11,15H,3-9H2,1-2H3.
What are the key properties of ethyl 2-(1-fluoro-4-propylcyclohexyl)-2-hydroxyacetate?
ethyl 2-(1-fluoro-4-propylcyclohexyl)-2-hydroxyacetate has a molecular weight of 246.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-fluoro-4-propylcyclohexyl)-2-hydroxyacetate is sourced from PubChem (CID 165450789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).