3-(fluoromethyl)-1-methylpyrrolidin-3-amine

C6H13FN2 — CID 115011259

IUPAC3-(fluoromethyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(N)(CF)C1
InChIInChI=1S/C6H13FN2/c1-9-3-2-6(8,4-7)5-9/h2-5,8H2,1H3
InChIKeyZRFFMTJQEQVPIS-UHFFFAOYSA-N
MW132.18 g/mol
LogP-0.01
Rot. Bonds1

About 3-(fluoromethyl)-1-methylpyrrolidin-3-amine

3-(fluoromethyl)-1-methylpyrrolidin-3-amine (PubChem CID 115011259) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(fluoromethyl)-1-methylpyrrolidin-3-amine
PubChem CID115011259
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name3-(fluoromethyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(N)(CF)C1
InChIInChI=1S/C6H13FN2/c1-9-3-2-6(8,4-7)5-9/h2-5,8H2,1H3
InChIKeyZRFFMTJQEQVPIS-UHFFFAOYSA-N
XLogP-0.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of 3-(fluoromethyl)-1-methylpyrrolidin-3-amine (CID 115011259) is 3-(fluoromethyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for 3-(fluoromethyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for 3-(fluoromethyl)-1-methylpyrrolidin-3-amine is CN1CCC(N)(CF)C1.
What is the InChIKey of 3-(fluoromethyl)-1-methylpyrrolidin-3-amine?
The InChIKey is ZRFFMTJQEQVPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2/c1-9-3-2-6(8,4-7)5-9/h2-5,8H2,1H3.
What are the key properties of 3-(fluoromethyl)-1-methylpyrrolidin-3-amine?
3-(fluoromethyl)-1-methylpyrrolidin-3-amine has a molecular weight of 132.18 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 115011259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).