4-fluoro-1-methylpyrrolidin-3-amine;dihydrochloride

C5H13Cl2FN2 — CID 84719612

IUPAC4-fluoro-1-methylpyrrolidin-3-amine;dihydrochloride
SMILESCN1CC(N)C(F)C1.Cl.Cl
InChIInChI=1S/C5H11FN2.2ClH/c1-8-2-4(6)5(7)3-8;;/h4-5H,2-3,7H2,1H3;2*1H
InChIKeyJXMLGRVATCQJEV-UHFFFAOYSA-N
MW191.08 g/mol
LogP0.44
Rot. Bonds

About 4-fluoro-1-methylpyrrolidin-3-amine;dihydrochloride

4-fluoro-1-methylpyrrolidin-3-amine;dihydrochloride (PubChem CID 84719612) has the molecular formula C5H13Cl2FN2 and a molecular weight of 191.08 g/mol. Its IUPAC name is 4-fluoro-1-methylpyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name4-fluoro-1-methylpyrrolidin-3-amine;dihydrochloride
PubChem CID84719612
Molecular FormulaC5H13Cl2FN2
Molecular Weight191.08 g/mol
Exact Mass190.04
IUPAC Name4-fluoro-1-methylpyrrolidin-3-amine;dihydrochloride
SMILESCN1CC(N)C(F)C1.Cl.Cl
InChIInChI=1S/C5H11FN2.2ClH/c1-8-2-4(6)5(7)3-8;;/h4-5H,2-3,7H2,1H3;2*1H
InChIKeyJXMLGRVATCQJEV-UHFFFAOYSA-N
XLogP0.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.08
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methylpyrrolidin-3-amine;dihydrochloride?
The IUPAC name of 4-fluoro-1-methylpyrrolidin-3-amine;dihydrochloride (CID 84719612) is 4-fluoro-1-methylpyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for 4-fluoro-1-methylpyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for 4-fluoro-1-methylpyrrolidin-3-amine;dihydrochloride is CN1CC(N)C(F)C1.Cl.Cl.
What is the InChIKey of 4-fluoro-1-methylpyrrolidin-3-amine;dihydrochloride?
The InChIKey is JXMLGRVATCQJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN2.2ClH/c1-8-2-4(6)5(7)3-8;;/h4-5H,2-3,7H2,1H3;2*1H.
What are the key properties of 4-fluoro-1-methylpyrrolidin-3-amine;dihydrochloride?
4-fluoro-1-methylpyrrolidin-3-amine;dihydrochloride has a molecular weight of 191.08 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methylpyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 84719612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).