1-bromobutane;1-chloropentane

C9H20BrCl — CID 88762079

IUPAC1-bromobutane;1-chloropentane
SMILESCCCCBr.CCCCCCl
InChIInChI=1S/C5H11Cl.C4H9Br/c1-2-3-4-5-6;1-2-3-4-5/h2-5H2,1H3;2-4H2,1H3
InChIKeyPAFZTLQCRDQMLQ-UHFFFAOYSA-N
MW243.62 g/mol
LogP4.60
Rot. Bonds5

About 1-bromobutane;1-chloropentane

1-bromobutane;1-chloropentane (PubChem CID 88762079) has the molecular formula C9H20BrCl and a molecular weight of 243.62 g/mol. Its IUPAC name is 1-bromobutane;1-chloropentane.

Molecular Properties

Compound Name1-bromobutane;1-chloropentane
PubChem CID88762079
Molecular FormulaC9H20BrCl
Molecular Weight243.62 g/mol
Exact Mass242.04
IUPAC Name1-bromobutane;1-chloropentane
SMILESCCCCBr.CCCCCCl
InChIInChI=1S/C5H11Cl.C4H9Br/c1-2-3-4-5-6;1-2-3-4-5/h2-5H2,1H3;2-4H2,1H3
InChIKeyPAFZTLQCRDQMLQ-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.62
LogP ≤ 54.60
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-chloropentane;ethane
CID 175284520
1-chlorononane
CID 17185
1-chloropentadecane
CID 20996
1-chloropentane;tetracosane
CID 174427484
1-chloropentane;octacosane
CID 174937871
1-chloropentane;pentadecane
CID 174295582
1-chloropentane;zirconium;octahydrate
CID 175544911
CID 87162953
CID 87162953
alumane;1-chloropentane;hydrate
CID 173313037
1-chloropentane;methylphosphane
CID 174465004
1-bromobutane;dihydrochloride
CID 172714525
1-bromobutane;phosphane
CID 87070199

Frequently Asked Questions

What is the IUPAC name of 1-bromobutane;1-chloropentane?
The IUPAC name of 1-bromobutane;1-chloropentane (CID 88762079) is 1-bromobutane;1-chloropentane.
What is the SMILES notation for 1-bromobutane;1-chloropentane?
The canonical SMILES for 1-bromobutane;1-chloropentane is CCCCBr.CCCCCCl.
What is the InChIKey of 1-bromobutane;1-chloropentane?
The InChIKey is PAFZTLQCRDQMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl.C4H9Br/c1-2-3-4-5-6;1-2-3-4-5/h2-5H2,1H3;2-4H2,1H3.
What are the key properties of 1-bromobutane;1-chloropentane?
1-bromobutane;1-chloropentane has a molecular weight of 243.62 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromobutane;1-chloropentane is sourced from PubChem (CID 88762079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).