4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine;dihydrochloride

C6H13Cl2F3N2O — CID 18985345

IUPAC4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CNCC1OCC(F)(F)F
InChIInChI=1S/C6H11F3N2O.2ClH/c7-6(8,9)3-12-5-2-11-1-4(5)10;;/h4-5,11H,1-3,10H2;2*1H
InChIKeyFYRVOEQCKHYRLK-UHFFFAOYSA-N
MW257.08 g/mol
LogP0.71
Rot. Bonds2

About 4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine;dihydrochloride

4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine;dihydrochloride (PubChem CID 18985345) has the molecular formula C6H13Cl2F3N2O and a molecular weight of 257.08 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine;dihydrochloride
PubChem CID18985345
Molecular FormulaC6H13Cl2F3N2O
Molecular Weight257.08 g/mol
Exact Mass256.04
IUPAC Name4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CNCC1OCC(F)(F)F
InChIInChI=1S/C6H11F3N2O.2ClH/c7-6(8,9)3-12-5-2-11-1-4(5)10;;/h4-5,11H,1-3,10H2;2*1H
InChIKeyFYRVOEQCKHYRLK-UHFFFAOYSA-N
XLogP0.71
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine;dihydrochloride (CID 18985345) is 4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine;dihydrochloride is Cl.Cl.NC1CNCC1OCC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine;dihydrochloride?
The InChIKey is FYRVOEQCKHYRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O.2ClH/c7-6(8,9)3-12-5-2-11-1-4(5)10;;/h4-5,11H,1-3,10H2;2*1H.
What are the key properties of 4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine;dihydrochloride?
4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine;dihydrochloride has a molecular weight of 257.08 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 18985345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).