(3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

C7H13F3N2 — CID 162433689

IUPAC(3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCN1CC[C@@H](NCC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2/c1-12-3-2-6(4-12)11-5-7(8,9)10/h6,11H,2-5H2,1H3/t6-/m1/s1
InChIKeySTLZTFREBXFNRK-ZCFIWIBFSA-N
MW182.19 g/mol
LogP0.84
Rot. Bonds2

About (3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

(3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 162433689) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is (3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID162433689
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name(3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCN1CC[C@@H](NCC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2/c1-12-3-2-6(4-12)11-5-7(8,9)10/h6,11H,2-5H2,1H3/t6-/m1/s1
InChIKeySTLZTFREBXFNRK-ZCFIWIBFSA-N
XLogP0.84
TPSA15.27 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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-ethyl-1-methylpyrrolidin-3-amine
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[(1-methylpyrrolidin-3-yl)amino]methanethiol
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N-(3-cyclopentylpropyl)-1-methylpyrrolidin-3-amine
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1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine
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Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 162433689) is (3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is CN1CC[C@@H](NCC(F)(F)F)C1.
What is the InChIKey of (3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is STLZTFREBXFNRK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-12-3-2-6(4-12)11-5-7(8,9)10/h6,11H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
(3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 182.19 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 162433689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).