6-fluoro-4,5-didehydro-1,2,3,6-tetrahydroazulene

C10H9F — CID 126659190

IUPAC6-fluoro-4,5-didehydro-1,2,3,6-tetrahydroazulene
SMILESFC1C#CC2=C(C=C1)CCC2
InChIInChI=1S/C10H9F/c11-10-6-4-8-2-1-3-9(8)5-7-10/h4,6,10H,1-3H2
InChIKeyBCXLMPKAWOHIJY-UHFFFAOYSA-N
MW148.18 g/mol
LogP2.38
Rot. Bonds

About 6-fluoro-4,5-didehydro-1,2,3,6-tetrahydroazulene

6-fluoro-4,5-didehydro-1,2,3,6-tetrahydroazulene (PubChem CID 126659190) has the molecular formula C10H9F and a molecular weight of 148.18 g/mol. Its IUPAC name is 6-fluoro-4,5-didehydro-1,2,3,6-tetrahydroazulene.

Molecular Properties

Compound Name6-fluoro-4,5-didehydro-1,2,3,6-tetrahydroazulene
PubChem CID126659190
Molecular FormulaC10H9F
Molecular Weight148.18 g/mol
Exact Mass148.07
IUPAC Name6-fluoro-4,5-didehydro-1,2,3,6-tetrahydroazulene
SMILESFC1C#CC2=C(C=C1)CCC2
InChIInChI=1S/C10H9F/c11-10-6-4-8-2-1-3-9(8)5-7-10/h4,6,10H,1-3H2
InChIKeyBCXLMPKAWOHIJY-UHFFFAOYSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4,5-didehydro-1,2,3,6-tetrahydroazulene?
The IUPAC name of 6-fluoro-4,5-didehydro-1,2,3,6-tetrahydroazulene (CID 126659190) is 6-fluoro-4,5-didehydro-1,2,3,6-tetrahydroazulene.
What is the SMILES notation for 6-fluoro-4,5-didehydro-1,2,3,6-tetrahydroazulene?
The canonical SMILES for 6-fluoro-4,5-didehydro-1,2,3,6-tetrahydroazulene is FC1C#CC2=C(C=C1)CCC2.
What is the InChIKey of 6-fluoro-4,5-didehydro-1,2,3,6-tetrahydroazulene?
The InChIKey is BCXLMPKAWOHIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F/c11-10-6-4-8-2-1-3-9(8)5-7-10/h4,6,10H,1-3H2.
What are the key properties of 6-fluoro-4,5-didehydro-1,2,3,6-tetrahydroazulene?
6-fluoro-4,5-didehydro-1,2,3,6-tetrahydroazulene has a molecular weight of 148.18 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4,5-didehydro-1,2,3,6-tetrahydroazulene is sourced from PubChem (CID 126659190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).