ethyl 1-amino-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylate

C14H17F2NO3 — CID 79649248

IUPACethyl 1-amino-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(Oc2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H17F2NO3/c1-2-19-13(18)14(17)4-3-11(8-14)20-12-6-9(15)5-10(16)7-12/h5-7,11H,2-4,8,17H2,1H3
InChIKeyWGFILRUTVXOLJC-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.16
Rot. Bonds4

About ethyl 1-amino-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylate

ethyl 1-amino-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylate (PubChem CID 79649248) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is ethyl 1-amino-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylate
PubChem CID79649248
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Nameethyl 1-amino-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(Oc2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H17F2NO3/c1-2-19-13(18)14(17)4-3-11(8-14)20-12-6-9(15)5-10(16)7-12/h5-7,11H,2-4,8,17H2,1H3
InChIKeyWGFILRUTVXOLJC-UHFFFAOYSA-N
XLogP2.16
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylate (CID 79649248) is ethyl 1-amino-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylate is CCOC(=O)C1(N)CCC(Oc2cc(F)cc(F)c2)C1.
What is the InChIKey of ethyl 1-amino-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylate?
The InChIKey is WGFILRUTVXOLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c1-2-19-13(18)14(17)4-3-11(8-14)20-12-6-9(15)5-10(16)7-12/h5-7,11H,2-4,8,17H2,1H3.
What are the key properties of ethyl 1-amino-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylate?
ethyl 1-amino-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylate has a molecular weight of 285.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 79649248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).