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

C7H13F3N2 — CID 13018946

IUPAC[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1CC(F)(F)F
InChIInChI=1S/C7H13F3N2/c8-7(9,10)5-12-3-1-2-6(12)4-11/h6H,1-5,11H2
InChIKeyFEEKNVYEXIAVGN-UHFFFAOYSA-N
MW182.19 g/mol
LogP0.97
Rot. Bonds2

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

[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanamine (PubChem CID 13018946) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanamine
PubChem CID13018946
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1CC(F)(F)F
InChIInChI=1S/C7H13F3N2/c8-7(9,10)5-12-3-1-2-6(12)4-11/h6H,1-5,11H2
InChIKeyFEEKNVYEXIAVGN-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
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-2-yl]methanamine?
The IUPAC name of [1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanamine (CID 13018946) is [1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanamine is NCC1CCCN1CC(F)(F)F.
What is the InChIKey of [1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanamine?
The InChIKey is FEEKNVYEXIAVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c8-7(9,10)5-12-3-1-2-6(12)4-11/h6H,1-5,11H2.
What are the key properties of [1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanamine?
[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanamine has a molecular weight of 182.19 g/mol, XLogP of 0.97, 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-2-yl]methanamine is sourced from PubChem (CID 13018946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).