2-amino-8-fluorocycloocta-1,5,7-trien-1-ol

C8H10FNO — CID 163765878

IUPAC2-amino-8-fluorocycloocta-1,5,7-trien-1-ol
SMILESNC1=C(O)C(F)=CC=CCC1
InChIInChI=1S/C8H10FNO/c9-6-4-2-1-3-5-7(10)8(6)11/h1-2,4,11H,3,5,10H2
InChIKeyMCFVAPJMQPCIFZ-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.92
Rot. Bonds

About 2-amino-8-fluorocycloocta-1,5,7-trien-1-ol

2-amino-8-fluorocycloocta-1,5,7-trien-1-ol (PubChem CID 163765878) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 2-amino-8-fluorocycloocta-1,5,7-trien-1-ol.

Molecular Properties

Compound Name2-amino-8-fluorocycloocta-1,5,7-trien-1-ol
PubChem CID163765878
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name2-amino-8-fluorocycloocta-1,5,7-trien-1-ol
SMILESNC1=C(O)C(F)=CC=CCC1
InChIInChI=1S/C8H10FNO/c9-6-4-2-1-3-5-7(10)8(6)11/h1-2,4,11H,3,5,10H2
InChIKeyMCFVAPJMQPCIFZ-UHFFFAOYSA-N
XLogP1.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-fluorocycloocta-1,5,7-trien-1-ol?
The IUPAC name of 2-amino-8-fluorocycloocta-1,5,7-trien-1-ol (CID 163765878) is 2-amino-8-fluorocycloocta-1,5,7-trien-1-ol.
What is the SMILES notation for 2-amino-8-fluorocycloocta-1,5,7-trien-1-ol?
The canonical SMILES for 2-amino-8-fluorocycloocta-1,5,7-trien-1-ol is NC1=C(O)C(F)=CC=CCC1.
What is the InChIKey of 2-amino-8-fluorocycloocta-1,5,7-trien-1-ol?
The InChIKey is MCFVAPJMQPCIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c9-6-4-2-1-3-5-7(10)8(6)11/h1-2,4,11H,3,5,10H2.
What are the key properties of 2-amino-8-fluorocycloocta-1,5,7-trien-1-ol?
2-amino-8-fluorocycloocta-1,5,7-trien-1-ol has a molecular weight of 155.17 g/mol, XLogP of 1.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-fluorocycloocta-1,5,7-trien-1-ol is sourced from PubChem (CID 163765878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).