3-[(3-fluoropyrrolidin-1-yl)methyl]oxan-4-amine

C10H19FN2O — CID 164657963

IUPAC3-[(3-fluoropyrrolidin-1-yl)methyl]oxan-4-amine
SMILESNC1CCOCC1CN1CCC(F)C1
InChIInChI=1S/C10H19FN2O/c11-9-1-3-13(6-9)5-8-7-14-4-2-10(8)12/h8-10H,1-7,12H2
InChIKeyYQSVRNUSNGRPHP-UHFFFAOYSA-N
MW202.27 g/mol
LogP0.39
Rot. Bonds2

About 3-[(3-fluoropyrrolidin-1-yl)methyl]oxan-4-amine

3-[(3-fluoropyrrolidin-1-yl)methyl]oxan-4-amine (PubChem CID 164657963) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is 3-[(3-fluoropyrrolidin-1-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name3-[(3-fluoropyrrolidin-1-yl)methyl]oxan-4-amine
PubChem CID164657963
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC Name3-[(3-fluoropyrrolidin-1-yl)methyl]oxan-4-amine
SMILESNC1CCOCC1CN1CCC(F)C1
InChIInChI=1S/C10H19FN2O/c11-9-1-3-13(6-9)5-8-7-14-4-2-10(8)12/h8-10H,1-7,12H2
InChIKeyYQSVRNUSNGRPHP-UHFFFAOYSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoropyrrolidin-1-yl)methyl]oxan-4-amine?
The IUPAC name of 3-[(3-fluoropyrrolidin-1-yl)methyl]oxan-4-amine (CID 164657963) is 3-[(3-fluoropyrrolidin-1-yl)methyl]oxan-4-amine.
What is the SMILES notation for 3-[(3-fluoropyrrolidin-1-yl)methyl]oxan-4-amine?
The canonical SMILES for 3-[(3-fluoropyrrolidin-1-yl)methyl]oxan-4-amine is NC1CCOCC1CN1CCC(F)C1.
What is the InChIKey of 3-[(3-fluoropyrrolidin-1-yl)methyl]oxan-4-amine?
The InChIKey is YQSVRNUSNGRPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O/c11-9-1-3-13(6-9)5-8-7-14-4-2-10(8)12/h8-10H,1-7,12H2.
What are the key properties of 3-[(3-fluoropyrrolidin-1-yl)methyl]oxan-4-amine?
3-[(3-fluoropyrrolidin-1-yl)methyl]oxan-4-amine has a molecular weight of 202.27 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoropyrrolidin-1-yl)methyl]oxan-4-amine is sourced from PubChem (CID 164657963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).