ethyl 3-[(4,4-difluorocyclohexyl)amino]propanoate

C11H19F2NO2 — CID 68868826

IUPACethyl 3-[(4,4-difluorocyclohexyl)amino]propanoate
SMILESCCOC(=O)CCNC1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2NO2/c1-2-16-10(15)5-8-14-9-3-6-11(12,13)7-4-9/h9,14H,2-8H2,1H3
InChIKeyNZOYKWXWCXWPBQ-UHFFFAOYSA-N
MW235.27 g/mol
LogP2.11
Rot. Bonds5

About ethyl 3-[(4,4-difluorocyclohexyl)amino]propanoate

ethyl 3-[(4,4-difluorocyclohexyl)amino]propanoate (PubChem CID 68868826) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is ethyl 3-[(4,4-difluorocyclohexyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4,4-difluorocyclohexyl)amino]propanoate
PubChem CID68868826
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Nameethyl 3-[(4,4-difluorocyclohexyl)amino]propanoate
SMILESCCOC(=O)CCNC1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2NO2/c1-2-16-10(15)5-8-14-9-3-6-11(12,13)7-4-9/h9,14H,2-8H2,1H3
InChIKeyNZOYKWXWCXWPBQ-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4,4-difluorocyclohexyl)amino]propanoate?
The IUPAC name of ethyl 3-[(4,4-difluorocyclohexyl)amino]propanoate (CID 68868826) is ethyl 3-[(4,4-difluorocyclohexyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(4,4-difluorocyclohexyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(4,4-difluorocyclohexyl)amino]propanoate is CCOC(=O)CCNC1CCC(F)(F)CC1.
What is the InChIKey of ethyl 3-[(4,4-difluorocyclohexyl)amino]propanoate?
The InChIKey is NZOYKWXWCXWPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-2-16-10(15)5-8-14-9-3-6-11(12,13)7-4-9/h9,14H,2-8H2,1H3.
What are the key properties of ethyl 3-[(4,4-difluorocyclohexyl)amino]propanoate?
ethyl 3-[(4,4-difluorocyclohexyl)amino]propanoate has a molecular weight of 235.27 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4,4-difluorocyclohexyl)amino]propanoate is sourced from PubChem (CID 68868826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).