CID 167370025

C8H12BFNO2 — CID 167370025

IUPAC—
SMILESO=C[B]N1CC2CCC1[C@H](F)[C@@H]2O
InChIInChI=1S/C8H12BFNO2/c10-7-6-2-1-5(8(7)13)3-11(6)9-4-12/h4-8,13H,1-3H2/t5?,6?,7-,8+/m0/s1
InChIKeyYHRPORJOPJMYSF-RLXKETGRSA-N
MW184.00 g/mol
LogP-0.41
Rot. Bonds2

About CID 167370025

CID 167370025 (PubChem CID 167370025) has the molecular formula C8H12BFNO2 and a molecular weight of 184.00 g/mol.

Molecular Properties

Compound NameCID 167370025
PubChem CID167370025
Molecular FormulaC8H12BFNO2
Molecular Weight184.00 g/mol
Exact Mass184.09
IUPAC Name—
SMILESO=C[B]N1CC2CCC1[C@H](F)[C@@H]2O
InChIInChI=1S/C8H12BFNO2/c10-7-6-2-1-5(8(7)13)3-11(6)9-4-12/h4-8,13H,1-3H2/t5?,6?,7-,8+/m0/s1
InChIKeyYHRPORJOPJMYSF-RLXKETGRSA-N
XLogP-0.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.00
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(5R,6S)-6-fluoro-5-hydroxy-2-azabicyclo[2.2.2]octan-2-yl]-methylborinic acid
CID 167369711
[(5S,6S)-6-fluoro-5-hydroxy-2-azabicyclo[2.2.2]octan-2-yl]-methylborinic acid
CID 167369944
2-(2,2,2-Trifluoroethyl)-2-azabicyclo[2.2.2]octan-5-ol
CID 117050342
(1S,4S,5S)-2-methyl-2-azabicyclo[2.2.2]octan-5-ol
CID 102096557
2-Methyl-2-azabicyclo[2.2.2]octan-5-ol
CID 14762842
(1S,4S,5R)-2-methyl-2-azabicyclo[2.2.2]octan-5-ol
CID 14762843
(1R,4R,5R)-2-methyl-2-azabicyclo[2.2.2]octan-5-ol
CID 21629482
(5-Hydroxy-2-azabicyclo[2.2.2]octan-2-yl)-methylborinic acid
CID 58695915
CID 167369783
CID 167369783
CID 167370149
CID 167370149
2-Iodo-2-azabicyclo[2.2.2]octan-5-ol
CID 169698870
(1R,4R,5S)-2-methyl-2-azabicyclo[2.2.2]octan-5-ol
CID 21629487

Frequently Asked Questions

What is the IUPAC name of CID 167370025?
The IUPAC name of CID 167370025 (CID 167370025) is not available.
What is the SMILES notation for CID 167370025?
The canonical SMILES for CID 167370025 is O=C[B]N1CC2CCC1[C@H](F)[C@@H]2O.
What is the InChIKey of CID 167370025?
The InChIKey is YHRPORJOPJMYSF-RLXKETGRSA-N. The full InChI is InChI=1S/C8H12BFNO2/c10-7-6-2-1-5(8(7)13)3-11(6)9-4-12/h4-8,13H,1-3H2/t5?,6?,7-,8+/m0/s1.
What are the key properties of CID 167370025?
CID 167370025 has a molecular weight of 184.00 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167370025 is sourced from PubChem (CID 167370025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).