1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride

C6H13Cl2F3N2 — CID 121209032

IUPAC1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C6H11F3N2.2ClH/c7-6(8,9)4-11-2-1-5(10)3-11;;/h5H,1-4,10H2;2*1H
InChIKeyQRYMVOXOYVAWEK-UHFFFAOYSA-N
MW241.08 g/mol
LogP1.43
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride

1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride (PubChem CID 121209032) has the molecular formula C6H13Cl2F3N2 and a molecular weight of 241.08 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride
PubChem CID121209032
Molecular FormulaC6H13Cl2F3N2
Molecular Weight241.08 g/mol
Exact Mass240.04
IUPAC Name1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C6H11F3N2.2ClH/c7-6(8,9)4-11-2-1-5(10)3-11;;/h5H,1-4,10H2;2*1H
InChIKeyQRYMVOXOYVAWEK-UHFFFAOYSA-N
XLogP1.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of 1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride (CID 121209032) is 1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride is Cl.Cl.NC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride?
The InChIKey is QRYMVOXOYVAWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2.2ClH/c7-6(8,9)4-11-2-1-5(10)3-11;;/h5H,1-4,10H2;2*1H.
What are the key properties of 1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride?
1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride has a molecular weight of 241.08 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 121209032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).