(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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Related Compounds

9-propyl-9-azabicyclo[6.2.0]decane
CID 126990839
(1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane
CID 130709044
3-(7-azabicyclo[4.2.0]octan-7-yl)propanoic acid
CID 127009430
7-(3-methylbut-3-enyl)-7-azabicyclo[4.2.0]octane
CID 130628784
6-ethyl-6-azabicyclo[3.2.0]heptane
CID 70673038
6-(2,2-difluoroethyl)-6-azabicyclo[3.2.0]heptane
CID 130685379
3-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid;hydrochloride
CID 130695692
9-prop-2-ynyl-9-azabicyclo[6.2.0]decane
CID 130688640
7-(2-chloroprop-2-enyl)-7-azabicyclo[4.2.0]octane
CID 130614648
2-cyclohexyl-1-(2-fluoroethyl)-5,5-dimethylpiperazine
CID 80698025
2-(6-azabicyclo[3.2.0]heptan-6-yl)acetic acid
CID 127019883
(2R)-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-2-amine;dihydrochloride
CID 122669519

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).