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

C6H11F3N2 — CID 70136700

IUPAC[3-(trifluoromethyl)pyrrolidin-1-yl]methanamine
SMILESNCN1CCC(C(F)(F)F)C1
InChIInChI=1S/C6H11F3N2/c7-6(8,9)5-1-2-11(3-5)4-10/h5H,1-4,10H2
InChIKeyWJFMORVCPWZVPP-UHFFFAOYSA-N
MW168.16 g/mol
LogP0.79
Rot. Bonds1

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

[3-(trifluoromethyl)pyrrolidin-1-yl]methanamine (PubChem CID 70136700) has the molecular formula C6H11F3N2 and a molecular weight of 168.16 g/mol. Its IUPAC name is [3-(trifluoromethyl)pyrrolidin-1-yl]methanamine.

Molecular Properties

Compound Name[3-(trifluoromethyl)pyrrolidin-1-yl]methanamine
PubChem CID70136700
Molecular FormulaC6H11F3N2
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC Name[3-(trifluoromethyl)pyrrolidin-1-yl]methanamine
SMILESNCN1CCC(C(F)(F)F)C1
InChIInChI=1S/C6H11F3N2/c7-6(8,9)5-1-2-11(3-5)4-10/h5H,1-4,10H2
InChIKeyWJFMORVCPWZVPP-UHFFFAOYSA-N
XLogP0.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)pyrrolidin-1-yl]methanamine?
The IUPAC name of [3-(trifluoromethyl)pyrrolidin-1-yl]methanamine (CID 70136700) is [3-(trifluoromethyl)pyrrolidin-1-yl]methanamine.
What is the SMILES notation for [3-(trifluoromethyl)pyrrolidin-1-yl]methanamine?
The canonical SMILES for [3-(trifluoromethyl)pyrrolidin-1-yl]methanamine is NCN1CCC(C(F)(F)F)C1.
What is the InChIKey of [3-(trifluoromethyl)pyrrolidin-1-yl]methanamine?
The InChIKey is WJFMORVCPWZVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2/c7-6(8,9)5-1-2-11(3-5)4-10/h5H,1-4,10H2.
What are the key properties of [3-(trifluoromethyl)pyrrolidin-1-yl]methanamine?
[3-(trifluoromethyl)pyrrolidin-1-yl]methanamine has a molecular weight of 168.16 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)pyrrolidin-1-yl]methanamine is sourced from PubChem (CID 70136700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).