(1R,6R)-7-(2-fluoroethyl)-7-azabicyclo[4.2.0]octane

C9H16FN — CID 130978927

IUPAC(1R,6R)-7-(2-fluoroethyl)-7-azabicyclo[4.2.0]octane
SMILESFCCN1C[C@H]2CCCC[C@H]21
InChIInChI=1S/C9H16FN/c10-5-6-11-7-8-3-1-2-4-9(8)11/h8-9H,1-7H2/t8-,9-/m1/s1
InChIKeyMSCLTHYUEDSBFA-RKDXNWHRSA-N
MW157.23 g/mol
LogP1.83
Rot. Bonds2

About (1R,6R)-7-(2-fluoroethyl)-7-azabicyclo[4.2.0]octane

(1R,6R)-7-(2-fluoroethyl)-7-azabicyclo[4.2.0]octane (PubChem CID 130978927) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (1R,6R)-7-(2-fluoroethyl)-7-azabicyclo[4.2.0]octane.

Molecular Properties

Compound Name(1R,6R)-7-(2-fluoroethyl)-7-azabicyclo[4.2.0]octane
PubChem CID130978927
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(1R,6R)-7-(2-fluoroethyl)-7-azabicyclo[4.2.0]octane
SMILESFCCN1C[C@H]2CCCC[C@H]21
InChIInChI=1S/C9H16FN/c10-5-6-11-7-8-3-1-2-4-9(8)11/h8-9H,1-7H2/t8-,9-/m1/s1
InChIKeyMSCLTHYUEDSBFA-RKDXNWHRSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,6R)-7-(2-fluoroethyl)-7-azabicyclo[4.2.0]octane?
The IUPAC name of (1R,6R)-7-(2-fluoroethyl)-7-azabicyclo[4.2.0]octane (CID 130978927) is (1R,6R)-7-(2-fluoroethyl)-7-azabicyclo[4.2.0]octane.
What is the SMILES notation for (1R,6R)-7-(2-fluoroethyl)-7-azabicyclo[4.2.0]octane?
The canonical SMILES for (1R,6R)-7-(2-fluoroethyl)-7-azabicyclo[4.2.0]octane is FCCN1C[C@H]2CCCC[C@H]21.
What is the InChIKey of (1R,6R)-7-(2-fluoroethyl)-7-azabicyclo[4.2.0]octane?
The InChIKey is MSCLTHYUEDSBFA-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H16FN/c10-5-6-11-7-8-3-1-2-4-9(8)11/h8-9H,1-7H2/t8-,9-/m1/s1.
What are the key properties of (1R,6R)-7-(2-fluoroethyl)-7-azabicyclo[4.2.0]octane?
(1R,6R)-7-(2-fluoroethyl)-7-azabicyclo[4.2.0]octane has a molecular weight of 157.23 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-7-(2-fluoroethyl)-7-azabicyclo[4.2.0]octane is sourced from PubChem (CID 130978927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).