(6R,7S)-7-fluoro-2-azabicyclo[4.1.0]heptane

C6H10FN — CID 176776197

IUPAC(6R,7S)-7-fluoro-2-azabicyclo[4.1.0]heptane
SMILESF[C@@H]1C2NCCC[C@H]21
InChIInChI=1S/C6H10FN/c7-5-4-2-1-3-8-6(4)5/h4-6,8H,1-3H2/t4-,5-,6?/m0/s1
InChIKeyAILALPOPSJXNGD-HVYQYDHPSA-N
MW115.15 g/mol
LogP0.71
Rot. Bonds

About (6R,7S)-7-fluoro-2-azabicyclo[4.1.0]heptane

(6R,7S)-7-fluoro-2-azabicyclo[4.1.0]heptane (PubChem CID 176776197) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is (6R,7S)-7-fluoro-2-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(6R,7S)-7-fluoro-2-azabicyclo[4.1.0]heptane
PubChem CID176776197
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name(6R,7S)-7-fluoro-2-azabicyclo[4.1.0]heptane
SMILESF[C@@H]1C2NCCC[C@H]21
InChIInChI=1S/C6H10FN/c7-5-4-2-1-3-8-6(4)5/h4-6,8H,1-3H2/t4-,5-,6?/m0/s1
InChIKeyAILALPOPSJXNGD-HVYQYDHPSA-N
XLogP0.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7,7-Difluoro-3-azabicyclo[4.1.0]heptane hydrochloride
CID 71656098
3-Azabicyclo[4.1.0]heptane hydrochloride
CID 74889690
2-Azabicyclo[4.1.0]heptane hydrochloride
CID 86280359
3-Azabicyclo[4.1.0]heptane
CID 20521861
7,7-Difluoro-3-azabicyclo[4.1.0]heptane
CID 50989413
7-(Trifluoromethyl)-2-azabicyclo(4.1.0)heptane hydrochloride
CID 54593825
1-Fluoro-3-azabicyclo(4.1.0)heptane hydrochloride
CID 155819437
7,7-Difluoro-2-azabicyclo[4.1.0]heptane hydrochloride
CID 165587098
2-Azabicyclo[4.1.0]heptane
CID 21998683
6-(Fluoromethyl)-3-azabicyclo[4.1.0]heptane
CID 50989448
(1R,6S)-7,7-difluoro-2-azabicyclo[4.1.0]heptane
CID 52271503
3-Fluoro-2,5-dimethylpiperidine
CID 58609151

Frequently Asked Questions

What is the IUPAC name of (6R,7S)-7-fluoro-2-azabicyclo[4.1.0]heptane?
The IUPAC name of (6R,7S)-7-fluoro-2-azabicyclo[4.1.0]heptane (CID 176776197) is (6R,7S)-7-fluoro-2-azabicyclo[4.1.0]heptane.
What is the SMILES notation for (6R,7S)-7-fluoro-2-azabicyclo[4.1.0]heptane?
The canonical SMILES for (6R,7S)-7-fluoro-2-azabicyclo[4.1.0]heptane is F[C@@H]1C2NCCC[C@H]21.
What is the InChIKey of (6R,7S)-7-fluoro-2-azabicyclo[4.1.0]heptane?
The InChIKey is AILALPOPSJXNGD-HVYQYDHPSA-N. The full InChI is InChI=1S/C6H10FN/c7-5-4-2-1-3-8-6(4)5/h4-6,8H,1-3H2/t4-,5-,6?/m0/s1.
What are the key properties of (6R,7S)-7-fluoro-2-azabicyclo[4.1.0]heptane?
(6R,7S)-7-fluoro-2-azabicyclo[4.1.0]heptane has a molecular weight of 115.15 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S)-7-fluoro-2-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 176776197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).