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

C10H19F3N2O — CID 103366371

IUPAC3,3,3-trifluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propan-1-amine
SMILESCOCC1CCN(CC(CN)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-16-7-8-2-3-15(5-8)6-9(4-14)10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyBLXWKWPTZXGLAO-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.09
Rot. Bonds5

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

3,3,3-trifluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propan-1-amine (PubChem CID 103366371) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propan-1-amine
PubChem CID103366371
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name3,3,3-trifluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propan-1-amine
SMILESCOCC1CCN(CC(CN)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-16-7-8-2-3-15(5-8)6-9(4-14)10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyBLXWKWPTZXGLAO-UHFFFAOYSA-N
XLogP1.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propan-1-amine (CID 103366371) is 3,3,3-trifluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propan-1-amine is COCC1CCN(CC(CN)C(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propan-1-amine?
The InChIKey is BLXWKWPTZXGLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-16-7-8-2-3-15(5-8)6-9(4-14)10(11,12)13/h8-9H,2-7,14H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propan-1-amine?
3,3,3-trifluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propan-1-amine has a molecular weight of 240.27 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propan-1-amine is sourced from PubChem (CID 103366371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).