methyl 2-[(1S,5R)-6-fluoro-3-azabicyclo[3.1.0]hexan-6-yl]acetate

C8H12FNO2 — CID 175936340

IUPACmethyl 2-[(1S,5R)-6-fluoro-3-azabicyclo[3.1.0]hexan-6-yl]acetate
SMILESCOC(=O)CC1(F)[C@@H]2CNC[C@@H]21
InChIInChI=1S/C8H12FNO2/c1-12-7(11)2-8(9)5-3-10-4-6(5)8/h5-6,10H,2-4H2,1H3/t5-,6+,8?
InChIKeyPRXKILOFDQZEMP-OFWQXNEASA-N
MW173.19 g/mol
LogP0.11
Rot. Bonds2

About methyl 2-[(1S,5R)-6-fluoro-3-azabicyclo[3.1.0]hexan-6-yl]acetate

methyl 2-[(1S,5R)-6-fluoro-3-azabicyclo[3.1.0]hexan-6-yl]acetate (PubChem CID 175936340) has the molecular formula C8H12FNO2 and a molecular weight of 173.19 g/mol. Its IUPAC name is methyl 2-[(1S,5R)-6-fluoro-3-azabicyclo[3.1.0]hexan-6-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1S,5R)-6-fluoro-3-azabicyclo[3.1.0]hexan-6-yl]acetate
PubChem CID175936340
Molecular FormulaC8H12FNO2
Molecular Weight173.19 g/mol
Exact Mass173.09
IUPAC Namemethyl 2-[(1S,5R)-6-fluoro-3-azabicyclo[3.1.0]hexan-6-yl]acetate
SMILESCOC(=O)CC1(F)[C@@H]2CNC[C@@H]21
InChIInChI=1S/C8H12FNO2/c1-12-7(11)2-8(9)5-3-10-4-6(5)8/h5-6,10H,2-4H2,1H3/t5-,6+,8?
InChIKeyPRXKILOFDQZEMP-OFWQXNEASA-N
XLogP0.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S,5R)-6-fluoro-3-azabicyclo[3.1.0]hexan-6-yl]acetate?
The IUPAC name of methyl 2-[(1S,5R)-6-fluoro-3-azabicyclo[3.1.0]hexan-6-yl]acetate (CID 175936340) is methyl 2-[(1S,5R)-6-fluoro-3-azabicyclo[3.1.0]hexan-6-yl]acetate.
What is the SMILES notation for methyl 2-[(1S,5R)-6-fluoro-3-azabicyclo[3.1.0]hexan-6-yl]acetate?
The canonical SMILES for methyl 2-[(1S,5R)-6-fluoro-3-azabicyclo[3.1.0]hexan-6-yl]acetate is COC(=O)CC1(F)[C@@H]2CNC[C@@H]21.
What is the InChIKey of methyl 2-[(1S,5R)-6-fluoro-3-azabicyclo[3.1.0]hexan-6-yl]acetate?
The InChIKey is PRXKILOFDQZEMP-OFWQXNEASA-N. The full InChI is InChI=1S/C8H12FNO2/c1-12-7(11)2-8(9)5-3-10-4-6(5)8/h5-6,10H,2-4H2,1H3/t5-,6+,8?.
What are the key properties of methyl 2-[(1S,5R)-6-fluoro-3-azabicyclo[3.1.0]hexan-6-yl]acetate?
methyl 2-[(1S,5R)-6-fluoro-3-azabicyclo[3.1.0]hexan-6-yl]acetate has a molecular weight of 173.19 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S,5R)-6-fluoro-3-azabicyclo[3.1.0]hexan-6-yl]acetate is sourced from PubChem (CID 175936340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).