3,3,3-trifluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine

C8H15F3N2 — CID 20763674

IUPAC3,3,3-trifluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine
SMILESCN1CCC(C(N)CC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2/c1-13-3-2-6(5-13)7(12)4-8(9,10)11/h6-7H,2-5,12H2,1H3
InChIKeyLUBIUFSVPDCBGH-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.22
Rot. Bonds2

About 3,3,3-trifluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine

3,3,3-trifluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine (PubChem CID 20763674) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine
PubChem CID20763674
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name3,3,3-trifluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine
SMILESCN1CCC(C(N)CC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2/c1-13-3-2-6(5-13)7(12)4-8(9,10)11/h6-7H,2-5,12H2,1H3
InChIKeyLUBIUFSVPDCBGH-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine (CID 20763674) is 3,3,3-trifluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine is CN1CCC(C(N)CC(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine?
The InChIKey is LUBIUFSVPDCBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-13-3-2-6(5-13)7(12)4-8(9,10)11/h6-7H,2-5,12H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine?
3,3,3-trifluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine has a molecular weight of 196.22 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine is sourced from PubChem (CID 20763674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).