ethyl 2-[cyclopropyl-[(3,3-difluorocyclohexyl)methyl]amino]acetate

C14H23F2NO2 — CID 114225024

IUPACethyl 2-[cyclopropyl-[(3,3-difluorocyclohexyl)methyl]amino]acetate
SMILESCCOC(=O)CN(CC1CCCC(F)(F)C1)C1CC1
InChIInChI=1S/C14H23F2NO2/c1-2-19-13(18)10-17(12-5-6-12)9-11-4-3-7-14(15,16)8-11/h11-12H,2-10H2,1H3
InChIKeyRHMXLNPPYNUOLJ-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.84
Rot. Bonds6

About ethyl 2-[cyclopropyl-[(3,3-difluorocyclohexyl)methyl]amino]acetate

ethyl 2-[cyclopropyl-[(3,3-difluorocyclohexyl)methyl]amino]acetate (PubChem CID 114225024) has the molecular formula C14H23F2NO2 and a molecular weight of 275.34 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-[(3,3-difluorocyclohexyl)methyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-[(3,3-difluorocyclohexyl)methyl]amino]acetate
PubChem CID114225024
Molecular FormulaC14H23F2NO2
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Nameethyl 2-[cyclopropyl-[(3,3-difluorocyclohexyl)methyl]amino]acetate
SMILESCCOC(=O)CN(CC1CCCC(F)(F)C1)C1CC1
InChIInChI=1S/C14H23F2NO2/c1-2-19-13(18)10-17(12-5-6-12)9-11-4-3-7-14(15,16)8-11/h11-12H,2-10H2,1H3
InChIKeyRHMXLNPPYNUOLJ-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-[(3,3-difluorocyclohexyl)methyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-[(3,3-difluorocyclohexyl)methyl]amino]acetate (CID 114225024) is ethyl 2-[cyclopropyl-[(3,3-difluorocyclohexyl)methyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-[(3,3-difluorocyclohexyl)methyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-[(3,3-difluorocyclohexyl)methyl]amino]acetate is CCOC(=O)CN(CC1CCCC(F)(F)C1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-[(3,3-difluorocyclohexyl)methyl]amino]acetate?
The InChIKey is RHMXLNPPYNUOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO2/c1-2-19-13(18)10-17(12-5-6-12)9-11-4-3-7-14(15,16)8-11/h11-12H,2-10H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl-[(3,3-difluorocyclohexyl)methyl]amino]acetate?
ethyl 2-[cyclopropyl-[(3,3-difluorocyclohexyl)methyl]amino]acetate has a molecular weight of 275.34 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-[(3,3-difluorocyclohexyl)methyl]amino]acetate is sourced from PubChem (CID 114225024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).