(1S,5R)-8-methyl-3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octane

C14H14F5NO — CID 14575207

IUPAC(1S,5R)-8-methyl-3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CC[C@H]1CC(Oc1c(F)c(F)c(F)c(F)c1F)C2
InChIInChI=1S/C14H14F5NO/c1-20-6-2-3-7(20)5-8(4-6)21-14-12(18)10(16)9(15)11(17)13(14)19/h6-8H,2-5H2,1H3/t6-,7+,8?
InChIKeySUULUTCCYWIQEX-DHBOJHSNSA-N
MW307.26 g/mol
LogP3.39
Rot. Bonds2

About (1S,5R)-8-methyl-3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octane

(1S,5R)-8-methyl-3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octane (PubChem CID 14575207) has the molecular formula C14H14F5NO and a molecular weight of 307.26 g/mol. Its IUPAC name is (1S,5R)-8-methyl-3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-8-methyl-3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octane
PubChem CID14575207
Molecular FormulaC14H14F5NO
Molecular Weight307.26 g/mol
Exact Mass307.10
IUPAC Name(1S,5R)-8-methyl-3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CC[C@H]1CC(Oc1c(F)c(F)c(F)c(F)c1F)C2
InChIInChI=1S/C14H14F5NO/c1-20-6-2-3-7(20)5-8(4-6)21-14-12(18)10(16)9(15)11(17)13(14)19/h6-8H,2-5H2,1H3/t6-,7+,8?
InChIKeySUULUTCCYWIQEX-DHBOJHSNSA-N
XLogP3.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-methyl-3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-8-methyl-3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octane (CID 14575207) is (1S,5R)-8-methyl-3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-8-methyl-3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-8-methyl-3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octane is CN1[C@@H]2CC[C@H]1CC(Oc1c(F)c(F)c(F)c(F)c1F)C2.
What is the InChIKey of (1S,5R)-8-methyl-3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octane?
The InChIKey is SUULUTCCYWIQEX-DHBOJHSNSA-N. The full InChI is InChI=1S/C14H14F5NO/c1-20-6-2-3-7(20)5-8(4-6)21-14-12(18)10(16)9(15)11(17)13(14)19/h6-8H,2-5H2,1H3/t6-,7+,8?.
What are the key properties of (1S,5R)-8-methyl-3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octane?
(1S,5R)-8-methyl-3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octane has a molecular weight of 307.26 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-methyl-3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 14575207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).