(3S)-N-methyl-1-(trifluoromethyl)pyrrolidin-3-amine

C6H11F3N2 — CID 71647901

IUPAC(3S)-N-methyl-1-(trifluoromethyl)pyrrolidin-3-amine
SMILESCN[C@H]1CCN(C(F)(F)F)C1
InChIInChI=1S/C6H11F3N2/c1-10-5-2-3-11(4-5)6(7,8)9/h5,10H,2-4H2,1H3/t5-/m0/s1
InChIKeyNDDNXCTZJSCXRW-YFKPBYRVSA-N
MW168.16 g/mol
LogP0.80
Rot. Bonds1

About (3S)-N-methyl-1-(trifluoromethyl)pyrrolidin-3-amine

(3S)-N-methyl-1-(trifluoromethyl)pyrrolidin-3-amine (PubChem CID 71647901) has the molecular formula C6H11F3N2 and a molecular weight of 168.16 g/mol. Its IUPAC name is (3S)-N-methyl-1-(trifluoromethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-methyl-1-(trifluoromethyl)pyrrolidin-3-amine
PubChem CID71647901
Molecular FormulaC6H11F3N2
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC Name(3S)-N-methyl-1-(trifluoromethyl)pyrrolidin-3-amine
SMILESCN[C@H]1CCN(C(F)(F)F)C1
InChIInChI=1S/C6H11F3N2/c1-10-5-2-3-11(4-5)6(7,8)9/h5,10H,2-4H2,1H3/t5-/m0/s1
InChIKeyNDDNXCTZJSCXRW-YFKPBYRVSA-N
XLogP0.80
TPSA15.27 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 ≤ 50.80
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 (3S)-N-methyl-1-(trifluoromethyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-N-methyl-1-(trifluoromethyl)pyrrolidin-3-amine (CID 71647901) is (3S)-N-methyl-1-(trifluoromethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-methyl-1-(trifluoromethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-methyl-1-(trifluoromethyl)pyrrolidin-3-amine is CN[C@H]1CCN(C(F)(F)F)C1.
What is the InChIKey of (3S)-N-methyl-1-(trifluoromethyl)pyrrolidin-3-amine?
The InChIKey is NDDNXCTZJSCXRW-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11F3N2/c1-10-5-2-3-11(4-5)6(7,8)9/h5,10H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (3S)-N-methyl-1-(trifluoromethyl)pyrrolidin-3-amine?
(3S)-N-methyl-1-(trifluoromethyl)pyrrolidin-3-amine has a molecular weight of 168.16 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-1-(trifluoromethyl)pyrrolidin-3-amine is sourced from PubChem (CID 71647901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).