17-bromo-1,1,1,7,7-pentafluoroheptadecane

C17H30BrF5 — CID 20549339

IUPAC17-bromo-1,1,1,7,7-pentafluoroheptadecane
SMILESFC(F)(F)CCCCCC(F)(F)CCCCCCCCCCBr
InChIInChI=1S/C17H30BrF5/c18-15-11-6-4-2-1-3-5-8-12-16(19,20)13-9-7-10-14-17(21,22)23/h1-15H2
InChIKeyCWRSRYLXAPNPLF-UHFFFAOYSA-N
MW409.32 g/mol
LogP8.04
Rot. Bonds15

About 17-bromo-1,1,1,7,7-pentafluoroheptadecane

17-bromo-1,1,1,7,7-pentafluoroheptadecane (PubChem CID 20549339) has the molecular formula C17H30BrF5 and a molecular weight of 409.32 g/mol. Its IUPAC name is 17-bromo-1,1,1,7,7-pentafluoroheptadecane.

Molecular Properties

Compound Name17-bromo-1,1,1,7,7-pentafluoroheptadecane
PubChem CID20549339
Molecular FormulaC17H30BrF5
Molecular Weight409.32 g/mol
Exact Mass408.15
IUPAC Name17-bromo-1,1,1,7,7-pentafluoroheptadecane
SMILESFC(F)(F)CCCCCC(F)(F)CCCCCCCCCCBr
InChIInChI=1S/C17H30BrF5/c18-15-11-6-4-2-1-3-5-8-12-16(19,20)13-9-7-10-14-17(21,22)23/h1-15H2
InChIKeyCWRSRYLXAPNPLF-UHFFFAOYSA-N
XLogP8.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.32
LogP ≤ 58.04
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 17-bromo-1,1,1,7,7-pentafluoroheptadecane?
The IUPAC name of 17-bromo-1,1,1,7,7-pentafluoroheptadecane (CID 20549339) is 17-bromo-1,1,1,7,7-pentafluoroheptadecane.
What is the SMILES notation for 17-bromo-1,1,1,7,7-pentafluoroheptadecane?
The canonical SMILES for 17-bromo-1,1,1,7,7-pentafluoroheptadecane is FC(F)(F)CCCCCC(F)(F)CCCCCCCCCCBr.
What is the InChIKey of 17-bromo-1,1,1,7,7-pentafluoroheptadecane?
The InChIKey is CWRSRYLXAPNPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BrF5/c18-15-11-6-4-2-1-3-5-8-12-16(19,20)13-9-7-10-14-17(21,22)23/h1-15H2.
What are the key properties of 17-bromo-1,1,1,7,7-pentafluoroheptadecane?
17-bromo-1,1,1,7,7-pentafluoroheptadecane has a molecular weight of 409.32 g/mol, XLogP of 8.04, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17-bromo-1,1,1,7,7-pentafluoroheptadecane is sourced from PubChem (CID 20549339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).