(E)-N'-[(3-fluorooxetan-3-yl)methyl]ethene-1,2-diamine

C6H11FN2O — CID 145230055

IUPAC(E)-N'-[(3-fluorooxetan-3-yl)methyl]ethene-1,2-diamine
SMILESN/C=C/NCC1(F)COC1
InChIInChI=1S/C6H11FN2O/c7-6(4-10-5-6)3-9-2-1-8/h1-2,9H,3-5,8H2/b2-1+
InChIKeyPHVATTDQGBYOIG-OWOJBTEDSA-N
MW146.17 g/mol
LogP-0.26
Rot. Bonds3

About (E)-N'-[(3-fluorooxetan-3-yl)methyl]ethene-1,2-diamine

(E)-N'-[(3-fluorooxetan-3-yl)methyl]ethene-1,2-diamine (PubChem CID 145230055) has the molecular formula C6H11FN2O and a molecular weight of 146.17 g/mol. Its IUPAC name is (E)-N'-[(3-fluorooxetan-3-yl)methyl]ethene-1,2-diamine.

Molecular Properties

Compound Name(E)-N'-[(3-fluorooxetan-3-yl)methyl]ethene-1,2-diamine
PubChem CID145230055
Molecular FormulaC6H11FN2O
Molecular Weight146.17 g/mol
Exact Mass146.09
IUPAC Name(E)-N'-[(3-fluorooxetan-3-yl)methyl]ethene-1,2-diamine
SMILESN/C=C/NCC1(F)COC1
InChIInChI=1S/C6H11FN2O/c7-6(4-10-5-6)3-9-2-1-8/h1-2,9H,3-5,8H2/b2-1+
InChIKeyPHVATTDQGBYOIG-OWOJBTEDSA-N
XLogP-0.26
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N'-[(3-fluorooxetan-3-yl)methyl]ethene-1,2-diamine?
The IUPAC name of (E)-N'-[(3-fluorooxetan-3-yl)methyl]ethene-1,2-diamine (CID 145230055) is (E)-N'-[(3-fluorooxetan-3-yl)methyl]ethene-1,2-diamine.
What is the SMILES notation for (E)-N'-[(3-fluorooxetan-3-yl)methyl]ethene-1,2-diamine?
The canonical SMILES for (E)-N'-[(3-fluorooxetan-3-yl)methyl]ethene-1,2-diamine is N/C=C/NCC1(F)COC1.
What is the InChIKey of (E)-N'-[(3-fluorooxetan-3-yl)methyl]ethene-1,2-diamine?
The InChIKey is PHVATTDQGBYOIG-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H11FN2O/c7-6(4-10-5-6)3-9-2-1-8/h1-2,9H,3-5,8H2/b2-1+.
What are the key properties of (E)-N'-[(3-fluorooxetan-3-yl)methyl]ethene-1,2-diamine?
(E)-N'-[(3-fluorooxetan-3-yl)methyl]ethene-1,2-diamine has a molecular weight of 146.17 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[(3-fluorooxetan-3-yl)methyl]ethene-1,2-diamine is sourced from PubChem (CID 145230055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).