(1S,4S)-2-(2-fluoroethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane

C8H15FN2 — CID 170049197

IUPAC(1S,4S)-2-(2-fluoroethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1C[C@@H]2C[C@H]1CN2CCF
InChIInChI=1S/C8H15FN2/c1-10-5-8-4-7(10)6-11(8)3-2-9/h7-8H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyDILLDMLOOAQRIZ-YUMQZZPRSA-N
MW158.22 g/mol
LogP0.34
Rot. Bonds2

About (1S,4S)-2-(2-fluoroethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane

(1S,4S)-2-(2-fluoroethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 170049197) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is (1S,4S)-2-(2-fluoroethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4S)-2-(2-fluoroethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID170049197
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name(1S,4S)-2-(2-fluoroethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1C[C@@H]2C[C@H]1CN2CCF
InChIInChI=1S/C8H15FN2/c1-10-5-8-4-7(10)6-11(8)3-2-9/h7-8H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyDILLDMLOOAQRIZ-YUMQZZPRSA-N
XLogP0.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2-(2-fluoroethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4S)-2-(2-fluoroethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane (CID 170049197) is (1S,4S)-2-(2-fluoroethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4S)-2-(2-fluoroethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4S)-2-(2-fluoroethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane is CN1C[C@@H]2C[C@H]1CN2CCF.
What is the InChIKey of (1S,4S)-2-(2-fluoroethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is DILLDMLOOAQRIZ-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15FN2/c1-10-5-8-4-7(10)6-11(8)3-2-9/h7-8H,2-6H2,1H3/t7-,8-/m0/s1.
What are the key properties of (1S,4S)-2-(2-fluoroethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
(1S,4S)-2-(2-fluoroethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 158.22 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-2-(2-fluoroethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 170049197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).