4-bromo-2-[2-(chloromethyl)pentyl]-1-fluorobenzene

C12H15BrClF — CID 66035206

IUPAC4-bromo-2-[2-(chloromethyl)pentyl]-1-fluorobenzene
SMILESCCCC(CCl)Cc1cc(Br)ccc1F
InChIInChI=1S/C12H15BrClF/c1-2-3-9(8-14)6-10-7-11(13)4-5-12(10)15/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyPDMDIDGQONURFF-UHFFFAOYSA-N
MW293.61 g/mol
LogP4.79
Rot. Bonds5

About 4-bromo-2-[2-(chloromethyl)pentyl]-1-fluorobenzene

4-bromo-2-[2-(chloromethyl)pentyl]-1-fluorobenzene (PubChem CID 66035206) has the molecular formula C12H15BrClF and a molecular weight of 293.61 g/mol. Its IUPAC name is 4-bromo-2-[2-(chloromethyl)pentyl]-1-fluorobenzene.

Molecular Properties

Compound Name4-bromo-2-[2-(chloromethyl)pentyl]-1-fluorobenzene
PubChem CID66035206
Molecular FormulaC12H15BrClF
Molecular Weight293.61 g/mol
Exact Mass292.00
IUPAC Name4-bromo-2-[2-(chloromethyl)pentyl]-1-fluorobenzene
SMILESCCCC(CCl)Cc1cc(Br)ccc1F
InChIInChI=1S/C12H15BrClF/c1-2-3-9(8-14)6-10-7-11(13)4-5-12(10)15/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyPDMDIDGQONURFF-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.61
LogP ≤ 54.79
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

4-chloro-2-[2-(chloromethyl)pentyl]-1-fluorobenzene
CID 103051283
4-bromo-2-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]-1-fluorobenzene
CID 66049693
4-bromo-2-[2-(chloromethyl)-3-(4-methoxyphenyl)propyl]-1-fluorobenzene
CID 66036394
4-[2-(chloromethyl)pentyl]-1,2-difluorobenzene
CID 82934974
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentan-1-ol
CID 66059383
4-bromo-2-[2-(3-bromophenyl)-3-chloropropyl]-1-fluorobenzene
CID 79431234
ethyl 2-bromo-3-(5-bromo-2-fluorophenyl)propanoate
CID 83197556
1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol
CID 62608389
5-bromo-2-[2-(chloromethyl)pentyl]pyridine
CID 104813262
3-(5-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 62529881
1-(5-bromo-2-fluorophenyl)-3-propoxypropan-2-ol
CID 62607672

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2-(chloromethyl)pentyl]-1-fluorobenzene?
The IUPAC name of 4-bromo-2-[2-(chloromethyl)pentyl]-1-fluorobenzene (CID 66035206) is 4-bromo-2-[2-(chloromethyl)pentyl]-1-fluorobenzene.
What is the SMILES notation for 4-bromo-2-[2-(chloromethyl)pentyl]-1-fluorobenzene?
The canonical SMILES for 4-bromo-2-[2-(chloromethyl)pentyl]-1-fluorobenzene is CCCC(CCl)Cc1cc(Br)ccc1F.
What is the InChIKey of 4-bromo-2-[2-(chloromethyl)pentyl]-1-fluorobenzene?
The InChIKey is PDMDIDGQONURFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClF/c1-2-3-9(8-14)6-10-7-11(13)4-5-12(10)15/h4-5,7,9H,2-3,6,8H2,1H3.
What are the key properties of 4-bromo-2-[2-(chloromethyl)pentyl]-1-fluorobenzene?
4-bromo-2-[2-(chloromethyl)pentyl]-1-fluorobenzene has a molecular weight of 293.61 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2-(chloromethyl)pentyl]-1-fluorobenzene is sourced from PubChem (CID 66035206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).