1,5-dibromo-5-fluorononane

C9H17Br2F — CID 154211577

IUPAC1,5-dibromo-5-fluorononane
SMILESCCCCC(F)(Br)CCCCBr
InChIInChI=1S/C9H17Br2F/c1-2-3-6-9(11,12)7-4-5-8-10/h2-8H2,1H3
InChIKeyRMPMDHOBBLCGLN-UHFFFAOYSA-N
MW304.04 g/mol
LogP4.80
Rot. Bonds7

About 1,5-dibromo-5-fluorononane

1,5-dibromo-5-fluorononane (PubChem CID 154211577) has the molecular formula C9H17Br2F and a molecular weight of 304.04 g/mol. Its IUPAC name is 1,5-dibromo-5-fluorononane.

Molecular Properties

Compound Name1,5-dibromo-5-fluorononane
PubChem CID154211577
Molecular FormulaC9H17Br2F
Molecular Weight304.04 g/mol
Exact Mass301.97
IUPAC Name1,5-dibromo-5-fluorononane
SMILESCCCCC(F)(Br)CCCCBr
InChIInChI=1S/C9H17Br2F/c1-2-3-6-9(11,12)7-4-5-8-10/h2-8H2,1H3
InChIKeyRMPMDHOBBLCGLN-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.04
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-5-fluorononane?
The IUPAC name of 1,5-dibromo-5-fluorononane (CID 154211577) is 1,5-dibromo-5-fluorononane.
What is the SMILES notation for 1,5-dibromo-5-fluorononane?
The canonical SMILES for 1,5-dibromo-5-fluorononane is CCCCC(F)(Br)CCCCBr.
What is the InChIKey of 1,5-dibromo-5-fluorononane?
The InChIKey is RMPMDHOBBLCGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Br2F/c1-2-3-6-9(11,12)7-4-5-8-10/h2-8H2,1H3.
What are the key properties of 1,5-dibromo-5-fluorononane?
1,5-dibromo-5-fluorononane has a molecular weight of 304.04 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-5-fluorononane is sourced from PubChem (CID 154211577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).