[3-fluoro-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine

C10H19FN2O — CID 115022684

IUPAC[3-fluoro-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1(F)CCN(C2CCOCC2)C1
InChIInChI=1S/C10H19FN2O/c11-10(7-12)3-4-13(8-10)9-1-5-14-6-2-9/h9H,1-8,12H2
InChIKeyCVIUDTLXIAYZKU-UHFFFAOYSA-N
MW202.27 g/mol
LogP0.54
Rot. Bonds2

About [3-fluoro-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine

[3-fluoro-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine (PubChem CID 115022684) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is [3-fluoro-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-fluoro-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine
PubChem CID115022684
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC Name[3-fluoro-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1(F)CCN(C2CCOCC2)C1
InChIInChI=1S/C10H19FN2O/c11-10(7-12)3-4-13(8-10)9-1-5-14-6-2-9/h9H,1-8,12H2
InChIKeyCVIUDTLXIAYZKU-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-fluoro-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [3-fluoro-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine (CID 115022684) is [3-fluoro-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-fluoro-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-fluoro-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine is NCC1(F)CCN(C2CCOCC2)C1.
What is the InChIKey of [3-fluoro-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is CVIUDTLXIAYZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O/c11-10(7-12)3-4-13(8-10)9-1-5-14-6-2-9/h9H,1-8,12H2.
What are the key properties of [3-fluoro-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine?
[3-fluoro-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine 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-fluoro-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 115022684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).