(5S,6R)-5-fluoro-3-azabicyclo[4.1.0]heptan-6-amine

C6H11FN2 — CID 178124905

IUPAC(5S,6R)-5-fluoro-3-azabicyclo[4.1.0]heptan-6-amine
SMILESN[C@]12CC1CNC[C@@H]2F
InChIInChI=1S/C6H11FN2/c7-5-3-9-2-4-1-6(4,5)8/h4-5,9H,1-3,8H2/t4?,5-,6+/m0/s1
InChIKeyWSGTYOJUFRTZLQ-DUAGOPDLSA-N
MW130.17 g/mol
LogP-0.35
Rot. Bonds

About (5S,6R)-5-fluoro-3-azabicyclo[4.1.0]heptan-6-amine

(5S,6R)-5-fluoro-3-azabicyclo[4.1.0]heptan-6-amine (PubChem CID 178124905) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is (5S,6R)-5-fluoro-3-azabicyclo[4.1.0]heptan-6-amine.

Molecular Properties

Compound Name(5S,6R)-5-fluoro-3-azabicyclo[4.1.0]heptan-6-amine
PubChem CID178124905
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name(5S,6R)-5-fluoro-3-azabicyclo[4.1.0]heptan-6-amine
SMILESN[C@]12CC1CNC[C@@H]2F
InChIInChI=1S/C6H11FN2/c7-5-3-9-2-4-1-6(4,5)8/h4-5,9H,1-3,8H2/t4?,5-,6+/m0/s1
InChIKeyWSGTYOJUFRTZLQ-DUAGOPDLSA-N
XLogP-0.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-Difluoro-3-azabicyclo[4.1.0]heptane hydrochloride
CID 71656098
1-Methyl-2-azabicyclo[4.1.0]heptane hydrochloride
CID 75994689
3-Azabicyclo[4.1.0]heptane
CID 20521861
7,7-Difluoro-3-azabicyclo[4.1.0]heptane
CID 50989413
1-Fluoro-3-azabicyclo(4.1.0)heptane hydrochloride
CID 155819437
6-(Fluoromethyl)-3-azabicyclo[4.1.0]heptane
CID 50989448
(1R,6S)-7,7-difluoro-2-azabicyclo[4.1.0]heptane
CID 52271503
1-Methyl-2-azabicyclo[4.1.0]heptane
CID 75994690
7,7-Difluoro-3-methanidyl-3-azoniabicyclo[4.1.0]heptane
CID 168101051
7-Fluoro-2-azabicyclo[4.1.0]heptane
CID 176338194
7-Fluoro-7-methyl-3-azabicyclo[4.1.0]heptane
CID 176557058
(6R,7S)-7-fluoro-2-azabicyclo[4.1.0]heptane
CID 176776197

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5-fluoro-3-azabicyclo[4.1.0]heptan-6-amine?
The IUPAC name of (5S,6R)-5-fluoro-3-azabicyclo[4.1.0]heptan-6-amine (CID 178124905) is (5S,6R)-5-fluoro-3-azabicyclo[4.1.0]heptan-6-amine.
What is the SMILES notation for (5S,6R)-5-fluoro-3-azabicyclo[4.1.0]heptan-6-amine?
The canonical SMILES for (5S,6R)-5-fluoro-3-azabicyclo[4.1.0]heptan-6-amine is N[C@]12CC1CNC[C@@H]2F.
What is the InChIKey of (5S,6R)-5-fluoro-3-azabicyclo[4.1.0]heptan-6-amine?
The InChIKey is WSGTYOJUFRTZLQ-DUAGOPDLSA-N. The full InChI is InChI=1S/C6H11FN2/c7-5-3-9-2-4-1-6(4,5)8/h4-5,9H,1-3,8H2/t4?,5-,6+/m0/s1.
What are the key properties of (5S,6R)-5-fluoro-3-azabicyclo[4.1.0]heptan-6-amine?
(5S,6R)-5-fluoro-3-azabicyclo[4.1.0]heptan-6-amine has a molecular weight of 130.17 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5-fluoro-3-azabicyclo[4.1.0]heptan-6-amine is sourced from PubChem (CID 178124905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).