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

C6H11F3N2 — CID 23064898

IUPACN-(1,1,2-trifluoroethyl)pyrrolidin-3-amine
SMILESFCC(F)(F)NC1CCNC1
InChIInChI=1S/C6H11F3N2/c7-4-6(8,9)11-5-1-2-10-3-5/h5,10-11H,1-4H2
InChIKeyUIGSSGGMSASFNR-UHFFFAOYSA-N
MW168.16 g/mol
LogP0.50
Rot. Bonds3

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

N-(1,1,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 23064898) has the molecular formula C6H11F3N2 and a molecular weight of 168.16 g/mol. Its IUPAC name is N-(1,1,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(1,1,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID23064898
Molecular FormulaC6H11F3N2
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC NameN-(1,1,2-trifluoroethyl)pyrrolidin-3-amine
SMILESFCC(F)(F)NC1CCNC1
InChIInChI=1S/C6H11F3N2/c7-4-6(8,9)11-5-1-2-10-3-5/h5,10-11H,1-4H2
InChIKeyUIGSSGGMSASFNR-UHFFFAOYSA-N
XLogP0.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 50.50
H-Bond Donors ≤ 52
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 N-(1,1,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of N-(1,1,2-trifluoroethyl)pyrrolidin-3-amine (CID 23064898) is N-(1,1,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(1,1,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for N-(1,1,2-trifluoroethyl)pyrrolidin-3-amine is FCC(F)(F)NC1CCNC1.
What is the InChIKey of N-(1,1,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is UIGSSGGMSASFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2/c7-4-6(8,9)11-5-1-2-10-3-5/h5,10-11H,1-4H2.
What are the key properties of N-(1,1,2-trifluoroethyl)pyrrolidin-3-amine?
N-(1,1,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 168.16 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 23064898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).