[3-(fluoromethyl)-1-methylpyrrolidin-3-yl]methanamine

C7H15FN2 — CID 20763690

IUPAC[3-(fluoromethyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CCC(CN)(CF)C1
InChIInChI=1S/C7H15FN2/c1-10-3-2-7(4-8,5-9)6-10/h2-6,9H2,1H3
InChIKeyAWJFAFGEIXCGSW-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.24
Rot. Bonds2

About [3-(fluoromethyl)-1-methylpyrrolidin-3-yl]methanamine

[3-(fluoromethyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 20763690) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is [3-(fluoromethyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-(fluoromethyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID20763690
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name[3-(fluoromethyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CCC(CN)(CF)C1
InChIInChI=1S/C7H15FN2/c1-10-3-2-7(4-8,5-9)6-10/h2-6,9H2,1H3
InChIKeyAWJFAFGEIXCGSW-UHFFFAOYSA-N
XLogP0.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.24
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-yl]methanamine?
The IUPAC name of [3-(fluoromethyl)-1-methylpyrrolidin-3-yl]methanamine (CID 20763690) is [3-(fluoromethyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-(fluoromethyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-(fluoromethyl)-1-methylpyrrolidin-3-yl]methanamine is CN1CCC(CN)(CF)C1.
What is the InChIKey of [3-(fluoromethyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is AWJFAFGEIXCGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-10-3-2-7(4-8,5-9)6-10/h2-6,9H2,1H3.
What are the key properties of [3-(fluoromethyl)-1-methylpyrrolidin-3-yl]methanamine?
[3-(fluoromethyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 146.21 g/mol, XLogP of 0.24, 2 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-yl]methanamine is sourced from PubChem (CID 20763690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).