(2R)-2-propyl-4-(trifluoromethyl)pyrrolidin-1-amine

C8H15F3N2 — CID 144977167

IUPAC(2R)-2-propyl-4-(trifluoromethyl)pyrrolidin-1-amine
SMILESCCC[C@@H]1CC(C(F)(F)F)CN1N
InChIInChI=1S/C8H15F3N2/c1-2-3-7-4-6(5-13(7)12)8(9,10)11/h6-7H,2-5,12H2,1H3/t6?,7-/m1/s1
InChIKeyNBELUWWMNHTZDW-COBSHVIPSA-N
MW196.22 g/mol
LogP1.91
Rot. Bonds2

About (2R)-2-propyl-4-(trifluoromethyl)pyrrolidin-1-amine

(2R)-2-propyl-4-(trifluoromethyl)pyrrolidin-1-amine (PubChem CID 144977167) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is (2R)-2-propyl-4-(trifluoromethyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name(2R)-2-propyl-4-(trifluoromethyl)pyrrolidin-1-amine
PubChem CID144977167
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name(2R)-2-propyl-4-(trifluoromethyl)pyrrolidin-1-amine
SMILESCCC[C@@H]1CC(C(F)(F)F)CN1N
InChIInChI=1S/C8H15F3N2/c1-2-3-7-4-6(5-13(7)12)8(9,10)11/h6-7H,2-5,12H2,1H3/t6?,7-/m1/s1
InChIKeyNBELUWWMNHTZDW-COBSHVIPSA-N
XLogP1.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-propyl-4-(trifluoromethyl)pyrrolidin-1-amine?
The IUPAC name of (2R)-2-propyl-4-(trifluoromethyl)pyrrolidin-1-amine (CID 144977167) is (2R)-2-propyl-4-(trifluoromethyl)pyrrolidin-1-amine.
What is the SMILES notation for (2R)-2-propyl-4-(trifluoromethyl)pyrrolidin-1-amine?
The canonical SMILES for (2R)-2-propyl-4-(trifluoromethyl)pyrrolidin-1-amine is CCC[C@@H]1CC(C(F)(F)F)CN1N.
What is the InChIKey of (2R)-2-propyl-4-(trifluoromethyl)pyrrolidin-1-amine?
The InChIKey is NBELUWWMNHTZDW-COBSHVIPSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-2-3-7-4-6(5-13(7)12)8(9,10)11/h6-7H,2-5,12H2,1H3/t6?,7-/m1/s1.
What are the key properties of (2R)-2-propyl-4-(trifluoromethyl)pyrrolidin-1-amine?
(2R)-2-propyl-4-(trifluoromethyl)pyrrolidin-1-amine has a molecular weight of 196.22 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-propyl-4-(trifluoromethyl)pyrrolidin-1-amine is sourced from PubChem (CID 144977167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).