ethyl 2-[1-(aminomethyl)-4-fluorocyclohexyl]acetate

C11H20FNO2 — CID 156898276

IUPACethyl 2-[1-(aminomethyl)-4-fluorocyclohexyl]acetate
SMILESCCOC(=O)CC1(CN)CCC(F)CC1
InChIInChI=1S/C11H20FNO2/c1-2-15-10(14)7-11(8-13)5-3-9(12)4-6-11/h9H,2-8,13H2,1H3
InChIKeyJGIFALCSRNKPAF-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.80
Rot. Bonds4

About ethyl 2-[1-(aminomethyl)-4-fluorocyclohexyl]acetate

ethyl 2-[1-(aminomethyl)-4-fluorocyclohexyl]acetate (PubChem CID 156898276) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is ethyl 2-[1-(aminomethyl)-4-fluorocyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(aminomethyl)-4-fluorocyclohexyl]acetate
PubChem CID156898276
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Nameethyl 2-[1-(aminomethyl)-4-fluorocyclohexyl]acetate
SMILESCCOC(=O)CC1(CN)CCC(F)CC1
InChIInChI=1S/C11H20FNO2/c1-2-15-10(14)7-11(8-13)5-3-9(12)4-6-11/h9H,2-8,13H2,1H3
InChIKeyJGIFALCSRNKPAF-UHFFFAOYSA-N
XLogP1.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(aminomethyl)-4-fluorocyclohexyl]acetate?
The IUPAC name of ethyl 2-[1-(aminomethyl)-4-fluorocyclohexyl]acetate (CID 156898276) is ethyl 2-[1-(aminomethyl)-4-fluorocyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[1-(aminomethyl)-4-fluorocyclohexyl]acetate?
The canonical SMILES for ethyl 2-[1-(aminomethyl)-4-fluorocyclohexyl]acetate is CCOC(=O)CC1(CN)CCC(F)CC1.
What is the InChIKey of ethyl 2-[1-(aminomethyl)-4-fluorocyclohexyl]acetate?
The InChIKey is JGIFALCSRNKPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-2-15-10(14)7-11(8-13)5-3-9(12)4-6-11/h9H,2-8,13H2,1H3.
What are the key properties of ethyl 2-[1-(aminomethyl)-4-fluorocyclohexyl]acetate?
ethyl 2-[1-(aminomethyl)-4-fluorocyclohexyl]acetate has a molecular weight of 217.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(aminomethyl)-4-fluorocyclohexyl]acetate is sourced from PubChem (CID 156898276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).