2-(3,3-difluorocyclopentyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine

C13H23F2NO2 — CID 114225781

IUPAC2-(3,3-difluorocyclopentyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine
SMILESCCNC(CC1CCC(F)(F)C1)C1COCCO1
InChIInChI=1S/C13H23F2NO2/c1-2-16-11(12-9-17-5-6-18-12)7-10-3-4-13(14,15)8-10/h10-12,16H,2-9H2,1H3
InChIKeyISUBQHRQQQZAQG-UHFFFAOYSA-N
MW263.33 g/mol
LogP2.21
Rot. Bonds5

About 2-(3,3-difluorocyclopentyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine

2-(3,3-difluorocyclopentyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine (PubChem CID 114225781) has the molecular formula C13H23F2NO2 and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine
PubChem CID114225781
Molecular FormulaC13H23F2NO2
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Name2-(3,3-difluorocyclopentyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine
SMILESCCNC(CC1CCC(F)(F)C1)C1COCCO1
InChIInChI=1S/C13H23F2NO2/c1-2-16-11(12-9-17-5-6-18-12)7-10-3-4-13(14,15)8-10/h10-12,16H,2-9H2,1H3
InChIKeyISUBQHRQQQZAQG-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine (CID 114225781) is 2-(3,3-difluorocyclopentyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine is CCNC(CC1CCC(F)(F)C1)C1COCCO1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine?
The InChIKey is ISUBQHRQQQZAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO2/c1-2-16-11(12-9-17-5-6-18-12)7-10-3-4-13(14,15)8-10/h10-12,16H,2-9H2,1H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine?
2-(3,3-difluorocyclopentyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine has a molecular weight of 263.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine is sourced from PubChem (CID 114225781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).