6-(fluoromethyl)-3-azabicyclo[4.1.0]heptane

C7H12FN — CID 50989448

IUPAC6-(fluoromethyl)-3-azabicyclo[4.1.0]heptane
SMILESFCC12CCNCC1C2
InChIInChI=1S/C7H12FN/c8-5-7-1-2-9-4-6(7)3-7/h6,9H,1-5H2
InChIKeyVKXJFGBRBGYUGU-UHFFFAOYSA-N
MW129.18 g/mol
LogP0.96
Rot. Bonds1

About 6-(fluoromethyl)-3-azabicyclo[4.1.0]heptane

6-(fluoromethyl)-3-azabicyclo[4.1.0]heptane (PubChem CID 50989448) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 6-(fluoromethyl)-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name6-(fluoromethyl)-3-azabicyclo[4.1.0]heptane
PubChem CID50989448
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name6-(fluoromethyl)-3-azabicyclo[4.1.0]heptane
SMILESFCC12CCNCC1C2
InChIInChI=1S/C7H12FN/c8-5-7-1-2-9-4-6(7)3-7/h6,9H,1-5H2
InChIKeyVKXJFGBRBGYUGU-UHFFFAOYSA-N
XLogP0.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 6-(fluoromethyl)-3-azabicyclo[4.1.0]heptane (CID 50989448) is 6-(fluoromethyl)-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 6-(fluoromethyl)-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 6-(fluoromethyl)-3-azabicyclo[4.1.0]heptane is FCC12CCNCC1C2.
What is the InChIKey of 6-(fluoromethyl)-3-azabicyclo[4.1.0]heptane?
The InChIKey is VKXJFGBRBGYUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c8-5-7-1-2-9-4-6(7)3-7/h6,9H,1-5H2.
What are the key properties of 6-(fluoromethyl)-3-azabicyclo[4.1.0]heptane?
6-(fluoromethyl)-3-azabicyclo[4.1.0]heptane has a molecular weight of 129.18 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 50989448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).