11-bromo-1,1,2,3,3-pentafluoroundec-1-ene

C11H16BrF5 — CID 10639618

IUPAC11-bromo-1,1,2,3,3-pentafluoroundec-1-ene
SMILESFC(F)=C(F)C(F)(F)CCCCCCCCBr
InChIInChI=1S/C11H16BrF5/c12-8-6-4-2-1-3-5-7-11(16,17)9(13)10(14)15/h1-8H2
InChIKeySNIYFWDOKCAKBQ-UHFFFAOYSA-N
MW323.14 g/mol
LogP5.82
Rot. Bonds9

About 11-bromo-1,1,2,3,3-pentafluoroundec-1-ene

11-bromo-1,1,2,3,3-pentafluoroundec-1-ene (PubChem CID 10639618) has the molecular formula C11H16BrF5 and a molecular weight of 323.14 g/mol. Its IUPAC name is 11-bromo-1,1,2,3,3-pentafluoroundec-1-ene.

Molecular Properties

Compound Name11-bromo-1,1,2,3,3-pentafluoroundec-1-ene
PubChem CID10639618
Molecular FormulaC11H16BrF5
Molecular Weight323.14 g/mol
Exact Mass322.04
IUPAC Name11-bromo-1,1,2,3,3-pentafluoroundec-1-ene
SMILESFC(F)=C(F)C(F)(F)CCCCCCCCBr
InChIInChI=1S/C11H16BrF5/c12-8-6-4-2-1-3-5-7-11(16,17)9(13)10(14)15/h1-8H2
InChIKeySNIYFWDOKCAKBQ-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.14
LogP ≤ 55.82
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 11-bromo-1,1,2,3,3-pentafluoroundec-1-ene?
The IUPAC name of 11-bromo-1,1,2,3,3-pentafluoroundec-1-ene (CID 10639618) is 11-bromo-1,1,2,3,3-pentafluoroundec-1-ene.
What is the SMILES notation for 11-bromo-1,1,2,3,3-pentafluoroundec-1-ene?
The canonical SMILES for 11-bromo-1,1,2,3,3-pentafluoroundec-1-ene is FC(F)=C(F)C(F)(F)CCCCCCCCBr.
What is the InChIKey of 11-bromo-1,1,2,3,3-pentafluoroundec-1-ene?
The InChIKey is SNIYFWDOKCAKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrF5/c12-8-6-4-2-1-3-5-7-11(16,17)9(13)10(14)15/h1-8H2.
What are the key properties of 11-bromo-1,1,2,3,3-pentafluoroundec-1-ene?
11-bromo-1,1,2,3,3-pentafluoroundec-1-ene has a molecular weight of 323.14 g/mol, XLogP of 5.82, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-bromo-1,1,2,3,3-pentafluoroundec-1-ene is sourced from PubChem (CID 10639618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).