1-bromo-7-chloroheptane

C7H14BrCl — CID 11665662

IUPAC1-bromo-7-chloroheptane
SMILESClCCCCCCCBr
InChIInChI=1S/C7H14BrCl/c8-6-4-2-1-3-5-7-9/h1-7H2
InChIKeyZMAOWMBSLZYILL-UHFFFAOYSA-N
MW213.55 g/mol
LogP3.57
Rot. Bonds6

About 1-bromo-7-chloroheptane

1-bromo-7-chloroheptane (PubChem CID 11665662) has the molecular formula C7H14BrCl and a molecular weight of 213.55 g/mol. Its IUPAC name is 1-bromo-7-chloroheptane.

Molecular Properties

Compound Name1-bromo-7-chloroheptane
PubChem CID11665662
Molecular FormulaC7H14BrCl
Molecular Weight213.55 g/mol
Exact Mass212.00
IUPAC Name1-bromo-7-chloroheptane
SMILESClCCCCCCCBr
InChIInChI=1S/C7H14BrCl/c8-6-4-2-1-3-5-7-9/h1-7H2
InChIKeyZMAOWMBSLZYILL-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.55
LogP ≤ 53.57
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 1-bromo-7-chloroheptane?
The IUPAC name of 1-bromo-7-chloroheptane (CID 11665662) is 1-bromo-7-chloroheptane.
What is the SMILES notation for 1-bromo-7-chloroheptane?
The canonical SMILES for 1-bromo-7-chloroheptane is ClCCCCCCCBr.
What is the InChIKey of 1-bromo-7-chloroheptane?
The InChIKey is ZMAOWMBSLZYILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrCl/c8-6-4-2-1-3-5-7-9/h1-7H2.
What are the key properties of 1-bromo-7-chloroheptane?
1-bromo-7-chloroheptane has a molecular weight of 213.55 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7-chloroheptane is sourced from PubChem (CID 11665662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).