1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine;dihydrochloride

C6H13Cl2F3N2 — CID 165477638

IUPAC1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine;dihydrochloride
SMILESCN1CCC(N)(C(F)(F)F)C1.Cl.Cl
InChIInChI=1S/C6H11F3N2.2ClH/c1-11-3-2-5(10,4-11)6(7,8)9;;/h2-4,10H2,1H3;2*1H
InChIKeyDAUUSKUVJFLWTH-UHFFFAOYSA-N
MW241.08 g/mol
LogP1.43
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine;dihydrochloride

1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine;dihydrochloride (PubChem CID 165477638) has the molecular formula C6H13Cl2F3N2 and a molecular weight of 241.08 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine;dihydrochloride
PubChem CID165477638
Molecular FormulaC6H13Cl2F3N2
Molecular Weight241.08 g/mol
Exact Mass240.04
IUPAC Name1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine;dihydrochloride
SMILESCN1CCC(N)(C(F)(F)F)C1.Cl.Cl
InChIInChI=1S/C6H11F3N2.2ClH/c1-11-3-2-5(10,4-11)6(7,8)9;;/h2-4,10H2,1H3;2*1H
InChIKeyDAUUSKUVJFLWTH-UHFFFAOYSA-N
XLogP1.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of 1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine;dihydrochloride (CID 165477638) is 1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine;dihydrochloride is CN1CCC(N)(C(F)(F)F)C1.Cl.Cl.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine;dihydrochloride?
The InChIKey is DAUUSKUVJFLWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2.2ClH/c1-11-3-2-5(10,4-11)6(7,8)9;;/h2-4,10H2,1H3;2*1H.
What are the key properties of 1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine;dihydrochloride?
1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine;dihydrochloride has a molecular weight of 241.08 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 165477638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).