[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine

C7H13F3N2 — CID 20763642

IUPAC[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)C(C(F)(F)F)C1
InChIInChI=1S/C7H13F3N2/c1-12-3-5(2-11)6(4-12)7(8,9)10/h5-6H,2-4,11H2,1H3
InChIKeyQEIPVBUDJQZRAE-UHFFFAOYSA-N
MW182.19 g/mol
LogP0.69
Rot. Bonds1

About [1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine

[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine (PubChem CID 20763642) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is [1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine
PubChem CID20763642
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)C(C(F)(F)F)C1
InChIInChI=1S/C7H13F3N2/c1-12-3-5(2-11)6(4-12)7(8,9)10/h5-6H,2-4,11H2,1H3
InChIKeyQEIPVBUDJQZRAE-UHFFFAOYSA-N
XLogP0.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine (CID 20763642) is [1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine is CN1CC(CN)C(C(F)(F)F)C1.
What is the InChIKey of [1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is QEIPVBUDJQZRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-12-3-5(2-11)6(4-12)7(8,9)10/h5-6H,2-4,11H2,1H3.
What are the key properties of [1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine?
[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 182.19 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 20763642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).