2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine

C7H13F3N2 — CID 96745643

IUPAC2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine
SMILESNCCN1CC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C7H13F3N2/c8-7(9,10)6-1-3-12(5-6)4-2-11/h6H,1-5,11H2/t6-/m1/s1
InChIKeyPPGHOFXANVOGJB-ZCFIWIBFSA-N
MW182.19 g/mol
LogP0.83
Rot. Bonds2

About 2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine

2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine (PubChem CID 96745643) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine
PubChem CID96745643
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine
SMILESNCCN1CC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C7H13F3N2/c8-7(9,10)6-1-3-12(5-6)4-2-11/h6H,1-5,11H2/t6-/m1/s1
InChIKeyPPGHOFXANVOGJB-ZCFIWIBFSA-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 2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine (CID 96745643) is 2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine is NCCN1CC[C@@H](C(F)(F)F)C1.
What is the InChIKey of 2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine?
The InChIKey is PPGHOFXANVOGJB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13F3N2/c8-7(9,10)6-1-3-12(5-6)4-2-11/h6H,1-5,11H2/t6-/m1/s1.
What are the key properties of 2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine?
2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine 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 2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 96745643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).