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

C6H11F3N2 — CID 51887467

IUPAC(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(CC(F)(F)F)C1
InChIInChI=1S/C6H11F3N2/c7-6(8,9)4-11-2-1-5(10)3-11/h5H,1-4,10H2/t5-/m0/s1
InChIKeyNSCLPIBLZPOZRN-YFKPBYRVSA-N
MW168.16 g/mol
LogP0.58
Rot. Bonds1

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

(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 51887467) has the molecular formula C6H11F3N2 and a molecular weight of 168.16 g/mol. Its IUPAC name is (3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID51887467
Molecular FormulaC6H11F3N2
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC Name(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(CC(F)(F)F)C1
InChIInChI=1S/C6H11F3N2/c7-6(8,9)4-11-2-1-5(10)3-11/h5H,1-4,10H2/t5-/m0/s1
InChIKeyNSCLPIBLZPOZRN-YFKPBYRVSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 51887467) is (3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is N[C@H]1CCN(CC(F)(F)F)C1.
What is the InChIKey of (3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is NSCLPIBLZPOZRN-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11F3N2/c7-6(8,9)4-11-2-1-5(10)3-11/h5H,1-4,10H2/t5-/m0/s1.
What are the key properties of (3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 168.16 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 51887467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).