9-bromo-1,1,3,5,7,10-hexachloro-1,2,2,3,4,4,5,6,6,7,8,8,9,10,10-pentadecafluorodecane

C10BrCl6F15 — CID 154256396

IUPAC9-bromo-1,1,3,5,7,10-hexachloro-1,2,2,3,4,4,5,6,6,7,8,8,9,10,10-pentadecafluorodecane
SMILESFC(F)(Cl)C(F)(Br)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)Cl
InChIInChI=1S/C10BrCl6F15/c11-1(18,10(17,31)32)5(22,23)2(12,19)6(24,25)3(13,20)7(26,27)4(14,21)8(28,29)9(15,16)30
InChIKeyJEKDZWCYWCLPLJ-UHFFFAOYSA-N
MW697.70 g/mol
LogP9.23
Rot. Bonds9

About 9-bromo-1,1,3,5,7,10-hexachloro-1,2,2,3,4,4,5,6,6,7,8,8,9,10,10-pentadecafluorodecane

9-bromo-1,1,3,5,7,10-hexachloro-1,2,2,3,4,4,5,6,6,7,8,8,9,10,10-pentadecafluorodecane (PubChem CID 154256396) has the molecular formula C10BrCl6F15 and a molecular weight of 697.70 g/mol. Its IUPAC name is 9-bromo-1,1,3,5,7,10-hexachloro-1,2,2,3,4,4,5,6,6,7,8,8,9,10,10-pentadecafluorodecane.

Molecular Properties

Compound Name9-bromo-1,1,3,5,7,10-hexachloro-1,2,2,3,4,4,5,6,6,7,8,8,9,10,10-pentadecafluorodecane
PubChem CID154256396
Molecular FormulaC10BrCl6F15
Molecular Weight697.70 g/mol
Exact Mass693.71
IUPAC Name9-bromo-1,1,3,5,7,10-hexachloro-1,2,2,3,4,4,5,6,6,7,8,8,9,10,10-pentadecafluorodecane
SMILESFC(F)(Cl)C(F)(Br)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)Cl
InChIInChI=1S/C10BrCl6F15/c11-1(18,10(17,31)32)5(22,23)2(12,19)6(24,25)3(13,20)7(26,27)4(14,21)8(28,29)9(15,16)30
InChIKeyJEKDZWCYWCLPLJ-UHFFFAOYSA-N
XLogP9.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.70
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-bromo-1,1,3,5,7,10-hexachloro-1,2,2,3,4,4,5,6,6,7,8,8,9,10,10-pentadecafluorodecane with MolForge

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Related Compounds

2-bromo-1-chloro-1,1,2,3,3,4,4,4-octafluorobutane
CID 154151123
1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane
CID 2773961
(1S,3R)-1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane
CID 95036366
1,1,3-trichloro-1,2,2,3,4,4,4-heptafluorobutane
CID 154303598
1,2-dibromo-1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobutane
CID 71436852
1-bromo-3,4-dichloro-1,1,2,2,3,4,4-heptafluorobutane
CID 139890181
1-bromo-1,1,3-trichloro-2,2,3,3-tetrafluoropropane
CID 15921925
bromo(trichloro)methane
CID 6383
1-chloro-1,1,2,2,3,3,3-heptafluoropropane;bis(1,1-dichloro-1,2,2,3,3,3-hexafluoropropane)
CID 22412566
1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
CID 2736851
(2S,3S)-1,2,3,4-tetrachloro-1,1,2,3,4,4-hexafluorobutane
CID 98047490
3-bromo-1,1,1-trichloro-2,2,3,4,4,4-hexafluorobutane
CID 23236256

Frequently Asked Questions

What is the IUPAC name of 9-bromo-1,1,3,5,7,10-hexachloro-1,2,2,3,4,4,5,6,6,7,8,8,9,10,10-pentadecafluorodecane?
The IUPAC name of 9-bromo-1,1,3,5,7,10-hexachloro-1,2,2,3,4,4,5,6,6,7,8,8,9,10,10-pentadecafluorodecane (CID 154256396) is 9-bromo-1,1,3,5,7,10-hexachloro-1,2,2,3,4,4,5,6,6,7,8,8,9,10,10-pentadecafluorodecane.
What is the SMILES notation for 9-bromo-1,1,3,5,7,10-hexachloro-1,2,2,3,4,4,5,6,6,7,8,8,9,10,10-pentadecafluorodecane?
The canonical SMILES for 9-bromo-1,1,3,5,7,10-hexachloro-1,2,2,3,4,4,5,6,6,7,8,8,9,10,10-pentadecafluorodecane is FC(F)(Cl)C(F)(Br)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)Cl.
What is the InChIKey of 9-bromo-1,1,3,5,7,10-hexachloro-1,2,2,3,4,4,5,6,6,7,8,8,9,10,10-pentadecafluorodecane?
The InChIKey is JEKDZWCYWCLPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10BrCl6F15/c11-1(18,10(17,31)32)5(22,23)2(12,19)6(24,25)3(13,20)7(26,27)4(14,21)8(28,29)9(15,16)30.
What are the key properties of 9-bromo-1,1,3,5,7,10-hexachloro-1,2,2,3,4,4,5,6,6,7,8,8,9,10,10-pentadecafluorodecane?
9-bromo-1,1,3,5,7,10-hexachloro-1,2,2,3,4,4,5,6,6,7,8,8,9,10,10-pentadecafluorodecane has a molecular weight of 697.70 g/mol, XLogP of 9.23, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-1,1,3,5,7,10-hexachloro-1,2,2,3,4,4,5,6,6,7,8,8,9,10,10-pentadecafluorodecane is sourced from PubChem (CID 154256396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).