3-[(5-fluoro-3-pyridinyl)oxymethyl]cyclobutan-1-amine

C10H13FN2O — CID 164662299

IUPAC3-[(5-fluoro-3-pyridinyl)oxymethyl]cyclobutan-1-amine
SMILESNC1CC(COc2cncc(F)c2)C1
InChIInChI=1S/C10H13FN2O/c11-8-3-10(5-13-4-8)14-6-7-1-9(12)2-7/h3-5,7,9H,1-2,6,12H2
InChIKeyJSSRDTPONUEIFW-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.34
Rot. Bonds3

About 3-[(5-fluoro-3-pyridinyl)oxymethyl]cyclobutan-1-amine

3-[(5-fluoro-3-pyridinyl)oxymethyl]cyclobutan-1-amine (PubChem CID 164662299) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 3-[(5-fluoro-3-pyridinyl)oxymethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(5-fluoro-3-pyridinyl)oxymethyl]cyclobutan-1-amine
PubChem CID164662299
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name3-[(5-fluoro-3-pyridinyl)oxymethyl]cyclobutan-1-amine
SMILESNC1CC(COc2cncc(F)c2)C1
InChIInChI=1S/C10H13FN2O/c11-8-3-10(5-13-4-8)14-6-7-1-9(12)2-7/h3-5,7,9H,1-2,6,12H2
InChIKeyJSSRDTPONUEIFW-UHFFFAOYSA-N
XLogP1.34
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-3-pyridinyl)oxymethyl]cyclobutan-1-amine?
The IUPAC name of 3-[(5-fluoro-3-pyridinyl)oxymethyl]cyclobutan-1-amine (CID 164662299) is 3-[(5-fluoro-3-pyridinyl)oxymethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[(5-fluoro-3-pyridinyl)oxymethyl]cyclobutan-1-amine?
The canonical SMILES for 3-[(5-fluoro-3-pyridinyl)oxymethyl]cyclobutan-1-amine is NC1CC(COc2cncc(F)c2)C1.
What is the InChIKey of 3-[(5-fluoro-3-pyridinyl)oxymethyl]cyclobutan-1-amine?
The InChIKey is JSSRDTPONUEIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c11-8-3-10(5-13-4-8)14-6-7-1-9(12)2-7/h3-5,7,9H,1-2,6,12H2.
What are the key properties of 3-[(5-fluoro-3-pyridinyl)oxymethyl]cyclobutan-1-amine?
3-[(5-fluoro-3-pyridinyl)oxymethyl]cyclobutan-1-amine has a molecular weight of 196.22 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-3-pyridinyl)oxymethyl]cyclobutan-1-amine is sourced from PubChem (CID 164662299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).