(1R,5S,6R)-5-(fluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine

C6H9FN2O — CID 141417284

IUPAC(1R,5S,6R)-5-(fluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine
SMILESNC1=N[C@H](CF)[C@H]2C[C@H]2O1
InChIInChI=1S/C6H9FN2O/c7-2-4-3-1-5(3)10-6(8)9-4/h3-5H,1-2H2,(H2,8,9)/t3-,4-,5-/m1/s1
InChIKeyXLZGUPGNPWZOTN-UOWFLXDJSA-N
MW144.15 g/mol
LogP0.06
Rot. Bonds1

About (1R,5S,6R)-5-(fluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine

(1R,5S,6R)-5-(fluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine (PubChem CID 141417284) has the molecular formula C6H9FN2O and a molecular weight of 144.15 g/mol. Its IUPAC name is (1R,5S,6R)-5-(fluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine.

Molecular Properties

Compound Name(1R,5S,6R)-5-(fluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine
PubChem CID141417284
Molecular FormulaC6H9FN2O
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name(1R,5S,6R)-5-(fluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine
SMILESNC1=N[C@H](CF)[C@H]2C[C@H]2O1
InChIInChI=1S/C6H9FN2O/c7-2-4-3-1-5(3)10-6(8)9-4/h3-5H,1-2H2,(H2,8,9)/t3-,4-,5-/m1/s1
InChIKeyXLZGUPGNPWZOTN-UOWFLXDJSA-N
XLogP0.06
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R)-5-(fluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine?
The IUPAC name of (1R,5S,6R)-5-(fluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine (CID 141417284) is (1R,5S,6R)-5-(fluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine.
What is the SMILES notation for (1R,5S,6R)-5-(fluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine?
The canonical SMILES for (1R,5S,6R)-5-(fluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine is NC1=N[C@H](CF)[C@H]2C[C@H]2O1.
What is the InChIKey of (1R,5S,6R)-5-(fluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine?
The InChIKey is XLZGUPGNPWZOTN-UOWFLXDJSA-N. The full InChI is InChI=1S/C6H9FN2O/c7-2-4-3-1-5(3)10-6(8)9-4/h3-5H,1-2H2,(H2,8,9)/t3-,4-,5-/m1/s1.
What are the key properties of (1R,5S,6R)-5-(fluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine?
(1R,5S,6R)-5-(fluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine has a molecular weight of 144.15 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R)-5-(fluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine is sourced from PubChem (CID 141417284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).