1-bromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane

C6HBrF12 — CID 2736358

IUPAC1-bromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br
InChIInChI=1S/C6HBrF12/c7-6(18,19)5(16,17)4(14,15)3(12,13)2(10,11)1(8)9/h1H
InChIKeyPOJDLLAQCVDMMK-UHFFFAOYSA-N
MW380.95 g/mol
LogP4.78
Rot. Bonds5

About 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane

1-bromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane (PubChem CID 2736358) has the molecular formula C6HBrF12 and a molecular weight of 380.95 g/mol. Its IUPAC name is 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane.

Molecular Properties

Compound Name1-bromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
PubChem CID2736358
Molecular FormulaC6HBrF12
Molecular Weight380.95 g/mol
Exact Mass379.91
IUPAC Name1-bromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br
InChIInChI=1S/C6HBrF12/c7-6(18,19)5(16,17)4(14,15)3(12,13)2(10,11)1(8)9/h1H
InChIKeyPOJDLLAQCVDMMK-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.95
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane?
The IUPAC name of 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane (CID 2736358) is 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane.
What is the SMILES notation for 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane?
The canonical SMILES for 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane is FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br.
What is the InChIKey of 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane?
The InChIKey is POJDLLAQCVDMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBrF12/c7-6(18,19)5(16,17)4(14,15)3(12,13)2(10,11)1(8)9/h1H.
What are the key properties of 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane?
1-bromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane has a molecular weight of 380.95 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane is sourced from PubChem (CID 2736358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).