1-(1,1,2-trifluoroethyl)pyrrolidin-3-amine

C6H11F3N2 — CID 89159129

IUPAC1-(1,1,2-trifluoroethyl)pyrrolidin-3-amine
SMILESNC1CCN(C(F)(F)CF)C1
InChIInChI=1S/C6H11F3N2/c7-4-6(8,9)11-2-1-5(10)3-11/h5H,1-4,10H2
InChIKeyYGNFXGACSKPBGH-UHFFFAOYSA-N
MW168.16 g/mol
LogP0.58
Rot. Bonds2

About 1-(1,1,2-trifluoroethyl)pyrrolidin-3-amine

1-(1,1,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 89159129) has the molecular formula C6H11F3N2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 1-(1,1,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1,1,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID89159129
Molecular FormulaC6H11F3N2
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC Name1-(1,1,2-trifluoroethyl)pyrrolidin-3-amine
SMILESNC1CCN(C(F)(F)CF)C1
InChIInChI=1S/C6H11F3N2/c7-4-6(8,9)11-2-1-5(10)3-11/h5H,1-4,10H2
InChIKeyYGNFXGACSKPBGH-UHFFFAOYSA-N
XLogP0.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of 1-(1,1,2-trifluoroethyl)pyrrolidin-3-amine (CID 89159129) is 1-(1,1,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(1,1,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(1,1,2-trifluoroethyl)pyrrolidin-3-amine is NC1CCN(C(F)(F)CF)C1.
What is the InChIKey of 1-(1,1,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is YGNFXGACSKPBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2/c7-4-6(8,9)11-2-1-5(10)3-11/h5H,1-4,10H2.
What are the key properties of 1-(1,1,2-trifluoroethyl)pyrrolidin-3-amine?
1-(1,1,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 168.16 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 89159129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).