3-(fluoromethyl)-1-(oxan-4-yl)pyrrolidin-3-amine

C10H19FN2O — CID 115022683

IUPAC3-(fluoromethyl)-1-(oxan-4-yl)pyrrolidin-3-amine
SMILESNC1(CF)CCN(C2CCOCC2)C1
InChIInChI=1S/C10H19FN2O/c11-7-10(12)3-4-13(8-10)9-1-5-14-6-2-9/h9H,1-8,12H2
InChIKeyUMZIABLUNHDIBD-UHFFFAOYSA-N
MW202.27 g/mol
LogP0.54
Rot. Bonds2

About 3-(fluoromethyl)-1-(oxan-4-yl)pyrrolidin-3-amine

3-(fluoromethyl)-1-(oxan-4-yl)pyrrolidin-3-amine (PubChem CID 115022683) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-(oxan-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name3-(fluoromethyl)-1-(oxan-4-yl)pyrrolidin-3-amine
PubChem CID115022683
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC Name3-(fluoromethyl)-1-(oxan-4-yl)pyrrolidin-3-amine
SMILESNC1(CF)CCN(C2CCOCC2)C1
InChIInChI=1S/C10H19FN2O/c11-7-10(12)3-4-13(8-10)9-1-5-14-6-2-9/h9H,1-8,12H2
InChIKeyUMZIABLUNHDIBD-UHFFFAOYSA-N
XLogP0.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-(oxan-4-yl)pyrrolidin-3-amine?
The IUPAC name of 3-(fluoromethyl)-1-(oxan-4-yl)pyrrolidin-3-amine (CID 115022683) is 3-(fluoromethyl)-1-(oxan-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for 3-(fluoromethyl)-1-(oxan-4-yl)pyrrolidin-3-amine?
The canonical SMILES for 3-(fluoromethyl)-1-(oxan-4-yl)pyrrolidin-3-amine is NC1(CF)CCN(C2CCOCC2)C1.
What is the InChIKey of 3-(fluoromethyl)-1-(oxan-4-yl)pyrrolidin-3-amine?
The InChIKey is UMZIABLUNHDIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O/c11-7-10(12)3-4-13(8-10)9-1-5-14-6-2-9/h9H,1-8,12H2.
What are the key properties of 3-(fluoromethyl)-1-(oxan-4-yl)pyrrolidin-3-amine?
3-(fluoromethyl)-1-(oxan-4-yl)pyrrolidin-3-amine has a molecular weight of 202.27 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-(oxan-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 115022683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).