(1R,5R,6S)-5-fluoro-3-azabicyclo[4.1.0]heptane

C6H10FN — CID 130682149

IUPAC(1R,5R,6S)-5-fluoro-3-azabicyclo[4.1.0]heptane
SMILESF[C@H]1CNC[C@@H]2C[C@@H]21
InChIInChI=1S/C6H10FN/c7-6-3-8-2-4-1-5(4)6/h4-6,8H,1-3H2/t4-,5-,6-/m0/s1
InChIKeyMDUJFLHUXRIJHZ-ZLUOBGJFSA-N
MW115.15 g/mol
LogP0.56
Rot. Bonds

About (1R,5R,6S)-5-fluoro-3-azabicyclo[4.1.0]heptane

(1R,5R,6S)-5-fluoro-3-azabicyclo[4.1.0]heptane (PubChem CID 130682149) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is (1R,5R,6S)-5-fluoro-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,5R,6S)-5-fluoro-3-azabicyclo[4.1.0]heptane
PubChem CID130682149
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name(1R,5R,6S)-5-fluoro-3-azabicyclo[4.1.0]heptane
SMILESF[C@H]1CNC[C@@H]2C[C@@H]21
InChIInChI=1S/C6H10FN/c7-6-3-8-2-4-1-5(4)6/h4-6,8H,1-3H2/t4-,5-,6-/m0/s1
InChIKeyMDUJFLHUXRIJHZ-ZLUOBGJFSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,4S)-4-(azetidin-3-yl)-3-fluoropiperidine
CID 130985817
(3aR,4S,5R,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol
CID 124520340
(3aS,4R,6aR)-4-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 96581815
3-(3-fluorocyclobutyl)azetidine;hydrochloride
CID 155893833
3-azabicyclo[3.1.0]hexane;dihydrochloride
CID 140512684
3-azabicyclo[4.1.0]heptan-5-ylmethanamine;dihydrochloride
CID 155896224
(2R,6S,8S)-4-azatricyclo[4.4.0.02,8]decane
CID 55288326
5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
CID 105428512
(3S,4S)-3-fluoro-4-methylpyrrolidine
CID 118447015
(3R,5R)-3,5-difluoropiperidine
CID 96532302
[(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol
CID 136589503
3-azabicyclo[3.2.0]heptan-6-ylcarbamic acid
CID 154998847

Frequently Asked Questions

What is the IUPAC name of (1R,5R,6S)-5-fluoro-3-azabicyclo[4.1.0]heptane?
The IUPAC name of (1R,5R,6S)-5-fluoro-3-azabicyclo[4.1.0]heptane (CID 130682149) is (1R,5R,6S)-5-fluoro-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,5R,6S)-5-fluoro-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for (1R,5R,6S)-5-fluoro-3-azabicyclo[4.1.0]heptane is F[C@H]1CNC[C@@H]2C[C@@H]21.
What is the InChIKey of (1R,5R,6S)-5-fluoro-3-azabicyclo[4.1.0]heptane?
The InChIKey is MDUJFLHUXRIJHZ-ZLUOBGJFSA-N. The full InChI is InChI=1S/C6H10FN/c7-6-3-8-2-4-1-5(4)6/h4-6,8H,1-3H2/t4-,5-,6-/m0/s1.
What are the key properties of (1R,5R,6S)-5-fluoro-3-azabicyclo[4.1.0]heptane?
(1R,5R,6S)-5-fluoro-3-azabicyclo[4.1.0]heptane has a molecular weight of 115.15 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6S)-5-fluoro-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 130682149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).