(1S,5S,6R)-6-fluoro-2-azabicyclo[3.2.0]heptane

C6H10FN — CID 170917898

IUPAC(1S,5S,6R)-6-fluoro-2-azabicyclo[3.2.0]heptane
SMILESF[C@@H]1C[C@@H]2NCC[C@H]12
InChIInChI=1S/C6H10FN/c7-5-3-6-4(5)1-2-8-6/h4-6,8H,1-3H2/t4-,5-,6+/m1/s1
InChIKeyNLHMIEINLWZDNY-PBXRRBTRSA-N
MW115.15 g/mol
LogP0.71
Rot. Bonds

About (1S,5S,6R)-6-fluoro-2-azabicyclo[3.2.0]heptane

(1S,5S,6R)-6-fluoro-2-azabicyclo[3.2.0]heptane (PubChem CID 170917898) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is (1S,5S,6R)-6-fluoro-2-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(1S,5S,6R)-6-fluoro-2-azabicyclo[3.2.0]heptane
PubChem CID170917898
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name(1S,5S,6R)-6-fluoro-2-azabicyclo[3.2.0]heptane
SMILESF[C@@H]1C[C@@H]2NCC[C@H]12
InChIInChI=1S/C6H10FN/c7-5-3-6-4(5)1-2-8-6/h4-6,8H,1-3H2/t4-,5-,6+/m1/s1
InChIKeyNLHMIEINLWZDNY-PBXRRBTRSA-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

(1S,5R)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride
CID 155891448
2,3,3a,4,5,6,7,7a-octahydro-1H-indole-4,5,6-triol
CID 85299300
(4S,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 102173535
2-azabicyclo[4.1.0]heptan-5-ol;hydrochloride
CID 155894479
4,6-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole
CID 83905168
4-ethyl-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydropyrrolo[3,2-e]indole
CID 172555806
4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 524017
methyl 2-(2-azabicyclo[3.2.0]heptan-6-yl)acetate
CID 155820890
2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-benzo[e]indole
CID 112714659
4-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
CID 176800681
2-chloro-4-(trifluoromethyl)piperidine
CID 42628809
1,2,3,4,4a,5,5a,6,7,8,8a,8b-dodecahydropentaleno[2,1-b]pyridine
CID 112714334

Frequently Asked Questions

What is the IUPAC name of (1S,5S,6R)-6-fluoro-2-azabicyclo[3.2.0]heptane?
The IUPAC name of (1S,5S,6R)-6-fluoro-2-azabicyclo[3.2.0]heptane (CID 170917898) is (1S,5S,6R)-6-fluoro-2-azabicyclo[3.2.0]heptane.
What is the SMILES notation for (1S,5S,6R)-6-fluoro-2-azabicyclo[3.2.0]heptane?
The canonical SMILES for (1S,5S,6R)-6-fluoro-2-azabicyclo[3.2.0]heptane is F[C@@H]1C[C@@H]2NCC[C@H]12.
What is the InChIKey of (1S,5S,6R)-6-fluoro-2-azabicyclo[3.2.0]heptane?
The InChIKey is NLHMIEINLWZDNY-PBXRRBTRSA-N. The full InChI is InChI=1S/C6H10FN/c7-5-3-6-4(5)1-2-8-6/h4-6,8H,1-3H2/t4-,5-,6+/m1/s1.
What are the key properties of (1S,5S,6R)-6-fluoro-2-azabicyclo[3.2.0]heptane?
(1S,5S,6R)-6-fluoro-2-azabicyclo[3.2.0]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 (1S,5S,6R)-6-fluoro-2-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 170917898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).