1,1,1-trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-3-amine

C11H21F3N2O — CID 64571035

IUPAC1,1,1-trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-3-amine
SMILESCCC(N)C(N1CCC(COC)C1)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-3-9(15)10(11(12,13)14)16-5-4-8(6-16)7-17-2/h8-10H,3-7,15H2,1-2H3
InChIKeyJJUPXHPGIBDDCS-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.62
Rot. Bonds5

About 1,1,1-trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-3-amine

1,1,1-trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-3-amine (PubChem CID 64571035) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-3-amine
PubChem CID64571035
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name1,1,1-trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-3-amine
SMILESCCC(N)C(N1CCC(COC)C1)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-3-9(15)10(11(12,13)14)16-5-4-8(6-16)7-17-2/h8-10H,3-7,15H2,1-2H3
InChIKeyJJUPXHPGIBDDCS-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-3-amine (CID 64571035) is 1,1,1-trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-3-amine is CCC(N)C(N1CCC(COC)C1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-3-amine?
The InChIKey is JJUPXHPGIBDDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-3-9(15)10(11(12,13)14)16-5-4-8(6-16)7-17-2/h8-10H,3-7,15H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-3-amine?
1,1,1-trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-3-amine has a molecular weight of 254.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-3-amine is sourced from PubChem (CID 64571035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).