1-(1,5-dibromopentan-3-yl)-3-fluorobenzene

C11H13Br2F — CID 139789232

IUPAC1-(1,5-dibromopentan-3-yl)-3-fluorobenzene
SMILESFc1cccc(C(CCBr)CCBr)c1
InChIInChI=1S/C11H13Br2F/c12-6-4-9(5-7-13)10-2-1-3-11(14)8-10/h1-3,8-9H,4-7H2
InChIKeyCIEBDJKGJLDTHR-UHFFFAOYSA-N
MW324.03 g/mol
LogP4.48
Rot. Bonds5

About 1-(1,5-dibromopentan-3-yl)-3-fluorobenzene

1-(1,5-dibromopentan-3-yl)-3-fluorobenzene (PubChem CID 139789232) has the molecular formula C11H13Br2F and a molecular weight of 324.03 g/mol. Its IUPAC name is 1-(1,5-dibromopentan-3-yl)-3-fluorobenzene.

Molecular Properties

Compound Name1-(1,5-dibromopentan-3-yl)-3-fluorobenzene
PubChem CID139789232
Molecular FormulaC11H13Br2F
Molecular Weight324.03 g/mol
Exact Mass321.94
IUPAC Name1-(1,5-dibromopentan-3-yl)-3-fluorobenzene
SMILESFc1cccc(C(CCBr)CCBr)c1
InChIInChI=1S/C11H13Br2F/c12-6-4-9(5-7-13)10-2-1-3-11(14)8-10/h1-3,8-9H,4-7H2
InChIKeyCIEBDJKGJLDTHR-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.03
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Phenethyl bromide
CID 7666
o-Xylyl bromide
CID 6992
(1,2-Dibromoethyl)benzene
CID 7145
(1-Bromoethyl)benzene
CID 11454
2-Fluorobiphenyl
CID 67579
1,4-Bis(bromomethyl)benzene
CID 69335
1,2-Bis(dibromomethyl)benzene
CID 83234
Benzene, 1,3-bis(bromomethyl)-
CID 69373
(3-Bromopropyl)benzene
CID 12503
o-Bis(bromomethyl)benzene
CID 66665
Benzene, 1,1'-(1,2-dibromo-1,2-ethanediyl)bis-
CID 93010
1,4-Bis(1,2-dibromoethyl)benzene
CID 97018

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dibromopentan-3-yl)-3-fluorobenzene?
The IUPAC name of 1-(1,5-dibromopentan-3-yl)-3-fluorobenzene (CID 139789232) is 1-(1,5-dibromopentan-3-yl)-3-fluorobenzene.
What is the SMILES notation for 1-(1,5-dibromopentan-3-yl)-3-fluorobenzene?
The canonical SMILES for 1-(1,5-dibromopentan-3-yl)-3-fluorobenzene is Fc1cccc(C(CCBr)CCBr)c1.
What is the InChIKey of 1-(1,5-dibromopentan-3-yl)-3-fluorobenzene?
The InChIKey is CIEBDJKGJLDTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2F/c12-6-4-9(5-7-13)10-2-1-3-11(14)8-10/h1-3,8-9H,4-7H2.
What are the key properties of 1-(1,5-dibromopentan-3-yl)-3-fluorobenzene?
1-(1,5-dibromopentan-3-yl)-3-fluorobenzene has a molecular weight of 324.03 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dibromopentan-3-yl)-3-fluorobenzene is sourced from PubChem (CID 139789232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).