[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine

C7H13F3N2 — CID 24700159

IUPAC[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2/c8-7(9,10)5-12-2-1-6(3-11)4-12/h6H,1-5,11H2
InChIKeyAWLXCAAXHNSOHI-UHFFFAOYSA-N
MW182.19 g/mol
LogP0.83
Rot. Bonds2

About [1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine

[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine (PubChem CID 24700159) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
PubChem CID24700159
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2/c8-7(9,10)5-12-2-1-6(3-11)4-12/h6H,1-5,11H2
InChIKeyAWLXCAAXHNSOHI-UHFFFAOYSA-N
XLogP0.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine (CID 24700159) is [1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine is NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of [1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is AWLXCAAXHNSOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c8-7(9,10)5-12-2-1-6(3-11)4-12/h6H,1-5,11H2.
What are the key properties of [1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 182.19 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 24700159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).