3-(2,2-difluoroethoxy)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine

C11H22F2N2O — CID 103208088

IUPAC3-(2,2-difluoroethoxy)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
SMILESFC(F)COCCCNCCN1CCCC1
InChIInChI=1S/C11H22F2N2O/c12-11(13)10-16-9-3-4-14-5-8-15-6-1-2-7-15/h11,14H,1-10H2
InChIKeyPXIDZYYXKJGCCV-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.34
Rot. Bonds9

About 3-(2,2-difluoroethoxy)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine

3-(2,2-difluoroethoxy)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine (PubChem CID 103208088) has the molecular formula C11H22F2N2O and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
PubChem CID103208088
Molecular FormulaC11H22F2N2O
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC Name3-(2,2-difluoroethoxy)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
SMILESFC(F)COCCCNCCN1CCCC1
InChIInChI=1S/C11H22F2N2O/c12-11(13)10-16-9-3-4-14-5-8-15-6-1-2-7-15/h11,14H,1-10H2
InChIKeyPXIDZYYXKJGCCV-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine (CID 103208088) is 3-(2,2-difluoroethoxy)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine is FC(F)COCCCNCCN1CCCC1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The InChIKey is PXIDZYYXKJGCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O/c12-11(13)10-16-9-3-4-14-5-8-15-6-1-2-7-15/h11,14H,1-10H2.
What are the key properties of 3-(2,2-difluoroethoxy)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
3-(2,2-difluoroethoxy)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine has a molecular weight of 236.31 g/mol, XLogP of 1.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine is sourced from PubChem (CID 103208088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).