1-(1,1,1-trifluoro-3-methoxypropan-2-yl)pyrrolidin-3-amine;dihydrochloride

C8H17Cl2F3N2O — CID 89189154

IUPAC1-(1,1,1-trifluoro-3-methoxypropan-2-yl)pyrrolidin-3-amine;dihydrochloride
SMILESCOCC(N1CCC(N)C1)C(F)(F)F.Cl.Cl
InChIInChI=1S/C8H15F3N2O.2ClH/c1-14-5-7(8(9,10)11)13-3-2-6(12)4-13;;/h6-7H,2-5,12H2,1H3;2*1H
InChIKeyNVIYUNULDMLSAH-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.44
Rot. Bonds3

About 1-(1,1,1-trifluoro-3-methoxypropan-2-yl)pyrrolidin-3-amine;dihydrochloride

1-(1,1,1-trifluoro-3-methoxypropan-2-yl)pyrrolidin-3-amine;dihydrochloride (PubChem CID 89189154) has the molecular formula C8H17Cl2F3N2O and a molecular weight of 285.14 g/mol. Its IUPAC name is 1-(1,1,1-trifluoro-3-methoxypropan-2-yl)pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-(1,1,1-trifluoro-3-methoxypropan-2-yl)pyrrolidin-3-amine;dihydrochloride
PubChem CID89189154
Molecular FormulaC8H17Cl2F3N2O
Molecular Weight285.14 g/mol
Exact Mass284.07
IUPAC Name1-(1,1,1-trifluoro-3-methoxypropan-2-yl)pyrrolidin-3-amine;dihydrochloride
SMILESCOCC(N1CCC(N)C1)C(F)(F)F.Cl.Cl
InChIInChI=1S/C8H15F3N2O.2ClH/c1-14-5-7(8(9,10)11)13-3-2-6(12)4-13;;/h6-7H,2-5,12H2,1H3;2*1H
InChIKeyNVIYUNULDMLSAH-UHFFFAOYSA-N
XLogP1.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1-trifluoro-3-methoxypropan-2-yl)pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of 1-(1,1,1-trifluoro-3-methoxypropan-2-yl)pyrrolidin-3-amine;dihydrochloride (CID 89189154) is 1-(1,1,1-trifluoro-3-methoxypropan-2-yl)pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-(1,1,1-trifluoro-3-methoxypropan-2-yl)pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for 1-(1,1,1-trifluoro-3-methoxypropan-2-yl)pyrrolidin-3-amine;dihydrochloride is COCC(N1CCC(N)C1)C(F)(F)F.Cl.Cl.
What is the InChIKey of 1-(1,1,1-trifluoro-3-methoxypropan-2-yl)pyrrolidin-3-amine;dihydrochloride?
The InChIKey is NVIYUNULDMLSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O.2ClH/c1-14-5-7(8(9,10)11)13-3-2-6(12)4-13;;/h6-7H,2-5,12H2,1H3;2*1H.
What are the key properties of 1-(1,1,1-trifluoro-3-methoxypropan-2-yl)pyrrolidin-3-amine;dihydrochloride?
1-(1,1,1-trifluoro-3-methoxypropan-2-yl)pyrrolidin-3-amine;dihydrochloride has a molecular weight of 285.14 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trifluoro-3-methoxypropan-2-yl)pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 89189154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).