2-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid

C15H19F5N2O3 — CID 71014317

IUPAC2-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC(N)C1c1cc(F)cc(F)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H18F2N2O.C2HF3O2/c1-18-5-4-17-3-2-12(16)13(17)9-6-10(14)8-11(15)7-9;3-2(4,5)1(6)7/h6-8,12-13H,2-5,16H2,1H3;(H,6,7)
InChIKeyAXBLSXJWBZIAGF-UHFFFAOYSA-N
MW370.32 g/mol
LogP2.32
Rot. Bonds4

About 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid

2-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 71014317) has the molecular formula C15H19F5N2O3 and a molecular weight of 370.32 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID71014317
Molecular FormulaC15H19F5N2O3
Molecular Weight370.32 g/mol
Exact Mass370.13
IUPAC Name2-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC(N)C1c1cc(F)cc(F)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H18F2N2O.C2HF3O2/c1-18-5-4-17-3-2-12(16)13(17)9-6-10(14)8-11(15)7-9;3-2(4,5)1(6)7/h6-8,12-13H,2-5,16H2,1H3;(H,6,7)
InChIKeyAXBLSXJWBZIAGF-UHFFFAOYSA-N
XLogP2.32
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid (CID 71014317) is 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid is COCCN1CCC(N)C1c1cc(F)cc(F)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is AXBLSXJWBZIAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O.C2HF3O2/c1-18-5-4-17-3-2-12(16)13(17)9-6-10(14)8-11(15)7-9;3-2(4,5)1(6)7/h6-8,12-13H,2-5,16H2,1H3;(H,6,7).
What are the key properties of 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
2-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 370.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71014317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).