1-bromo-1,1,2,2,5,5-hexafluoro-3,5-diiodopentane

C5H3BrF6I2 — CID 15497387

IUPAC1-bromo-1,1,2,2,5,5-hexafluoro-3,5-diiodopentane
SMILESFC(F)(I)CC(I)C(F)(F)C(F)(F)Br
InChIInChI=1S/C5H3BrF6I2/c6-5(11,12)4(9,10)2(13)1-3(7,8)14/h2H,1H2
InChIKeyALYXFGMFMGOBHX-UHFFFAOYSA-N
MW510.78 g/mol
LogP4.83
Rot. Bonds4

About 1-bromo-1,1,2,2,5,5-hexafluoro-3,5-diiodopentane

1-bromo-1,1,2,2,5,5-hexafluoro-3,5-diiodopentane (PubChem CID 15497387) has the molecular formula C5H3BrF6I2 and a molecular weight of 510.78 g/mol. Its IUPAC name is 1-bromo-1,1,2,2,5,5-hexafluoro-3,5-diiodopentane.

Molecular Properties

Compound Name1-bromo-1,1,2,2,5,5-hexafluoro-3,5-diiodopentane
PubChem CID15497387
Molecular FormulaC5H3BrF6I2
Molecular Weight510.78 g/mol
Exact Mass509.74
IUPAC Name1-bromo-1,1,2,2,5,5-hexafluoro-3,5-diiodopentane
SMILESFC(F)(I)CC(I)C(F)(F)C(F)(F)Br
InChIInChI=1S/C5H3BrF6I2/c6-5(11,12)4(9,10)2(13)1-3(7,8)14/h2H,1H2
InChIKeyALYXFGMFMGOBHX-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.78
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,3,3-tetrafluoro-1-iodopropane
CID 129244940
1,1,1,2,2,3,3,4,4,5,5,6,6,9,9,10,10,11,11,12,12,13,13,14,14,14-hexacosafluoro-7-iodotetradecane
CID 138396298
1,1,3,4,4-pentafluoro-1-iodobutane
CID 150789350
4-bromo-1,1,1,2,2-pentafluoro-3-iodobutane
CID 22613639
1,1,3-trifluoro-1,2-diiodopropane
CID 175825475
1,1,5-trifluoro-1-iodo-3,5-dimethylhexane
CID 89295092
1,3-dibromo-1,1,2,2-tetrafluorobutane
CID 91273956
6-chloro-1,1,1,2,2,3,3,4,4-nonafluoro-5-iodohexane
CID 71337308
1-bromo-1,1,3,3,3-pentafluoro-2-iodo-2-(trifluoromethyl)propane
CID 22613612
bis(3,3,4,4,5,5,6,6,6-nonafluoro-2-iodohexyl) sulfate
CID 54102070
ethyl 2,5,5,6,6,7,7,8,8,8-decafluoro-4-iodo-2-(trifluoromethyl)octanoate
CID 19082566
(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-iodooctyl)benzene
CID 132820969

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1,1,2,2,5,5-hexafluoro-3,5-diiodopentane?
The IUPAC name of 1-bromo-1,1,2,2,5,5-hexafluoro-3,5-diiodopentane (CID 15497387) is 1-bromo-1,1,2,2,5,5-hexafluoro-3,5-diiodopentane.
What is the SMILES notation for 1-bromo-1,1,2,2,5,5-hexafluoro-3,5-diiodopentane?
The canonical SMILES for 1-bromo-1,1,2,2,5,5-hexafluoro-3,5-diiodopentane is FC(F)(I)CC(I)C(F)(F)C(F)(F)Br.
What is the InChIKey of 1-bromo-1,1,2,2,5,5-hexafluoro-3,5-diiodopentane?
The InChIKey is ALYXFGMFMGOBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrF6I2/c6-5(11,12)4(9,10)2(13)1-3(7,8)14/h2H,1H2.
What are the key properties of 1-bromo-1,1,2,2,5,5-hexafluoro-3,5-diiodopentane?
1-bromo-1,1,2,2,5,5-hexafluoro-3,5-diiodopentane has a molecular weight of 510.78 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1,1,2,2,5,5-hexafluoro-3,5-diiodopentane is sourced from PubChem (CID 15497387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).