(3-fluorooxetan-3-yl)methanamine

C4H8FNO — CID 53346590

IUPAC(3-fluorooxetan-3-yl)methanamine
SMILESNCC1(F)COC1
InChIInChI=1S/C4H8FNO/c5-4(1-6)2-7-3-4/h1-3,6H2
InChIKeyCKOHQNWYAGJORO-UHFFFAOYSA-N
MW105.11 g/mol
LogP-0.32
Rot. Bonds1

About (3-fluorooxetan-3-yl)methanamine

(3-fluorooxetan-3-yl)methanamine (PubChem CID 53346590) has the molecular formula C4H8FNO and a molecular weight of 105.11 g/mol. Its IUPAC name is (3-fluorooxetan-3-yl)methanamine.

Molecular Properties

Compound Name(3-fluorooxetan-3-yl)methanamine
PubChem CID53346590
Molecular FormulaC4H8FNO
Molecular Weight105.11 g/mol
Exact Mass105.06
IUPAC Name(3-fluorooxetan-3-yl)methanamine
SMILESNCC1(F)COC1
InChIInChI=1S/C4H8FNO/c5-4(1-6)2-7-3-4/h1-3,6H2
InChIKeyCKOHQNWYAGJORO-UHFFFAOYSA-N
XLogP-0.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.11
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluorooxetan-3-yl)methanamine?
The IUPAC name of (3-fluorooxetan-3-yl)methanamine (CID 53346590) is (3-fluorooxetan-3-yl)methanamine.
What is the SMILES notation for (3-fluorooxetan-3-yl)methanamine?
The canonical SMILES for (3-fluorooxetan-3-yl)methanamine is NCC1(F)COC1.
What is the InChIKey of (3-fluorooxetan-3-yl)methanamine?
The InChIKey is CKOHQNWYAGJORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO/c5-4(1-6)2-7-3-4/h1-3,6H2.
What are the key properties of (3-fluorooxetan-3-yl)methanamine?
(3-fluorooxetan-3-yl)methanamine has a molecular weight of 105.11 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorooxetan-3-yl)methanamine is sourced from PubChem (CID 53346590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).