1-bromo-6-chloroheptane

C7H14BrCl — CID 66509132

IUPAC1-bromo-6-chloroheptane
SMILESCC(Cl)CCCCCBr
InChIInChI=1S/C7H14BrCl/c1-7(9)5-3-2-4-6-8/h7H,2-6H2,1H3
InChIKeyWFOZPOCBIUMQCU-UHFFFAOYSA-N
MW213.55 g/mol
LogP3.57
Rot. Bonds5

About 1-bromo-6-chloroheptane

1-bromo-6-chloroheptane (PubChem CID 66509132) has the molecular formula C7H14BrCl and a molecular weight of 213.55 g/mol. Its IUPAC name is 1-bromo-6-chloroheptane.

Molecular Properties

Compound Name1-bromo-6-chloroheptane
PubChem CID66509132
Molecular FormulaC7H14BrCl
Molecular Weight213.55 g/mol
Exact Mass212.00
IUPAC Name1-bromo-6-chloroheptane
SMILESCC(Cl)CCCCCBr
InChIInChI=1S/C7H14BrCl/c1-7(9)5-3-2-4-6-8/h7H,2-6H2,1H3
InChIKeyWFOZPOCBIUMQCU-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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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Related Compounds

2-chloro-9-methyldecane
CID 174557182
1-bromo-11-methyldodecane
CID 15569727
1-bromo-20-methylhenicosane
CID 10982010
1,6-dibromoheptane
CID 12575830
1,7-dibromooctane
CID 14490019
1-bromo-8-chlorodecane
CID 87925762
(7S)-7-chlorooctan-1-ol
CID 139766875
azane;2-chloropentadecane
CID 88746937
1-bromo-10-methyldodecane
CID 15569726
1-bromo-5-chloroheptane
CID 141486133
1,1,15-tribromopentadecane
CID 118275782
1,1,13-tribromotridecane
CID 118276299

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-chloroheptane?
The IUPAC name of 1-bromo-6-chloroheptane (CID 66509132) is 1-bromo-6-chloroheptane.
What is the SMILES notation for 1-bromo-6-chloroheptane?
The canonical SMILES for 1-bromo-6-chloroheptane is CC(Cl)CCCCCBr.
What is the InChIKey of 1-bromo-6-chloroheptane?
The InChIKey is WFOZPOCBIUMQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrCl/c1-7(9)5-3-2-4-6-8/h7H,2-6H2,1H3.
What are the key properties of 1-bromo-6-chloroheptane?
1-bromo-6-chloroheptane has a molecular weight of 213.55 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-chloroheptane is sourced from PubChem (CID 66509132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).