1-bromo-5-chloroheptane

C7H14BrCl — CID 141486133

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

About 1-bromo-5-chloroheptane

1-bromo-5-chloroheptane (PubChem CID 141486133) has the molecular formula C7H14BrCl and a molecular weight of 213.55 g/mol. Its IUPAC name is 1-bromo-5-chloroheptane.

Molecular Properties

Compound Name1-bromo-5-chloroheptane
PubChem CID141486133
Molecular FormulaC7H14BrCl
Molecular Weight213.55 g/mol
Exact Mass212.00
IUPAC Name1-bromo-5-chloroheptane
SMILESCCC(Cl)CCCCBr
InChIInChI=1S/C7H14BrCl/c1-2-7(9)5-3-4-6-8/h7H,2-6H2,1H3
InChIKeyVSAYIKKDTJFEAH-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

1-bromo-8-chlorodecane
CID 87925762
3-chlorohexadecane
CID 63459281
3-chlorohenicosane
CID 87067964
1-bromo-6-chloroheptane
CID 66509132
1-bromo-3-chloropentadecane
CID 122583656
1-bromo-10-methyldodecane
CID 15569726
1,4-dibromo-7-chlorododecane
CID 122583599
(2R)-1-bromo-2-chlorobutane
CID 57480694
8-chlorodec-1-ene
CID 64507974
12-bromododecan-3-ol
CID 10706786
methyl 9-chloroundecanoate
CID 12772138
21-chlorotricosanoic acid
CID 88635838

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-chloroheptane?
The IUPAC name of 1-bromo-5-chloroheptane (CID 141486133) is 1-bromo-5-chloroheptane.
What is the SMILES notation for 1-bromo-5-chloroheptane?
The canonical SMILES for 1-bromo-5-chloroheptane is CCC(Cl)CCCCBr.
What is the InChIKey of 1-bromo-5-chloroheptane?
The InChIKey is VSAYIKKDTJFEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrCl/c1-2-7(9)5-3-4-6-8/h7H,2-6H2,1H3.
What are the key properties of 1-bromo-5-chloroheptane?
1-bromo-5-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-5-chloroheptane is sourced from PubChem (CID 141486133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).