3-(fluoromethyl)-1-(2-methylpropyl)pyrrolidin-3-amine

C9H19FN2 — CID 115014373

IUPAC3-(fluoromethyl)-1-(2-methylpropyl)pyrrolidin-3-amine
SMILESCC(C)CN1CCC(N)(CF)C1
InChIInChI=1S/C9H19FN2/c1-8(2)5-12-4-3-9(11,6-10)7-12/h8H,3-7,11H2,1-2H3
InChIKeyRFNLOHCPLYAUFO-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.02
Rot. Bonds3

About 3-(fluoromethyl)-1-(2-methylpropyl)pyrrolidin-3-amine

3-(fluoromethyl)-1-(2-methylpropyl)pyrrolidin-3-amine (PubChem CID 115014373) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-(2-methylpropyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name3-(fluoromethyl)-1-(2-methylpropyl)pyrrolidin-3-amine
PubChem CID115014373
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name3-(fluoromethyl)-1-(2-methylpropyl)pyrrolidin-3-amine
SMILESCC(C)CN1CCC(N)(CF)C1
InChIInChI=1S/C9H19FN2/c1-8(2)5-12-4-3-9(11,6-10)7-12/h8H,3-7,11H2,1-2H3
InChIKeyRFNLOHCPLYAUFO-UHFFFAOYSA-N
XLogP1.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-(2-methylpropyl)pyrrolidin-3-amine?
The IUPAC name of 3-(fluoromethyl)-1-(2-methylpropyl)pyrrolidin-3-amine (CID 115014373) is 3-(fluoromethyl)-1-(2-methylpropyl)pyrrolidin-3-amine.
What is the SMILES notation for 3-(fluoromethyl)-1-(2-methylpropyl)pyrrolidin-3-amine?
The canonical SMILES for 3-(fluoromethyl)-1-(2-methylpropyl)pyrrolidin-3-amine is CC(C)CN1CCC(N)(CF)C1.
What is the InChIKey of 3-(fluoromethyl)-1-(2-methylpropyl)pyrrolidin-3-amine?
The InChIKey is RFNLOHCPLYAUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-8(2)5-12-4-3-9(11,6-10)7-12/h8H,3-7,11H2,1-2H3.
What are the key properties of 3-(fluoromethyl)-1-(2-methylpropyl)pyrrolidin-3-amine?
3-(fluoromethyl)-1-(2-methylpropyl)pyrrolidin-3-amine has a molecular weight of 174.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-(2-methylpropyl)pyrrolidin-3-amine is sourced from PubChem (CID 115014373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).