2-(3-bromopropyl)-1-(chloromethyl)-3-fluorobenzene

C10H11BrClF — CID 131342110

IUPAC2-(3-bromopropyl)-1-(chloromethyl)-3-fluorobenzene
SMILESFc1cccc(CCl)c1CCCBr
InChIInChI=1S/C10H11BrClF/c11-6-2-4-9-8(7-12)3-1-5-10(9)13/h1,3,5H,2,4,6-7H2
InChIKeyVFHRKYSAESCPKA-UHFFFAOYSA-N
MW265.55 g/mol
LogP3.89
Rot. Bonds4

About 2-(3-bromopropyl)-1-(chloromethyl)-3-fluorobenzene

2-(3-bromopropyl)-1-(chloromethyl)-3-fluorobenzene (PubChem CID 131342110) has the molecular formula C10H11BrClF and a molecular weight of 265.55 g/mol. Its IUPAC name is 2-(3-bromopropyl)-1-(chloromethyl)-3-fluorobenzene.

Molecular Properties

Compound Name2-(3-bromopropyl)-1-(chloromethyl)-3-fluorobenzene
PubChem CID131342110
Molecular FormulaC10H11BrClF
Molecular Weight265.55 g/mol
Exact Mass263.97
IUPAC Name2-(3-bromopropyl)-1-(chloromethyl)-3-fluorobenzene
SMILESFc1cccc(CCl)c1CCCBr
InChIInChI=1S/C10H11BrClF/c11-6-2-4-9-8(7-12)3-1-5-10(9)13/h1,3,5H,2,4,6-7H2
InChIKeyVFHRKYSAESCPKA-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.55
LogP ≤ 53.89
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

1-(3-bromopropyl)-2,3-difluorobenzene
CID 53433974
2-[2-(6-bromohexyl)-3-fluorophenyl]acetic acid
CID 23352576
methyl 2-(3-bromopropyl)-3-(chloromethyl)benzoate
CID 131297475
1-(chloromethyl)-3-fluoro-2-methylbenzene
CID 53403085
2-(3-chloropropyl)-1-fluoro-3-methylbenzene
CID 118802920
3-(3-bromopropyl)-2-fluorophenol
CID 131093499
1-(3-bromopropyl)-3-ethyl-2-fluorobenzene
CID 166641849
1-(3-bromopropyl)-3-fluoro-2-methoxybenzene
CID 118853515
1,2-bis(bromomethyl)-3-fluorobenzene
CID 14111600
2-(2-bromoethyl)-1-chloro-3-fluorobenzene
CID 53403497
2-(3-bromopropyl)-1,3-difluoro-4-methylbenzene
CID 82822097
1-fluoro-2,3-dioctylbenzene
CID 67729666

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropyl)-1-(chloromethyl)-3-fluorobenzene?
The IUPAC name of 2-(3-bromopropyl)-1-(chloromethyl)-3-fluorobenzene (CID 131342110) is 2-(3-bromopropyl)-1-(chloromethyl)-3-fluorobenzene.
What is the SMILES notation for 2-(3-bromopropyl)-1-(chloromethyl)-3-fluorobenzene?
The canonical SMILES for 2-(3-bromopropyl)-1-(chloromethyl)-3-fluorobenzene is Fc1cccc(CCl)c1CCCBr.
What is the InChIKey of 2-(3-bromopropyl)-1-(chloromethyl)-3-fluorobenzene?
The InChIKey is VFHRKYSAESCPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClF/c11-6-2-4-9-8(7-12)3-1-5-10(9)13/h1,3,5H,2,4,6-7H2.
What are the key properties of 2-(3-bromopropyl)-1-(chloromethyl)-3-fluorobenzene?
2-(3-bromopropyl)-1-(chloromethyl)-3-fluorobenzene has a molecular weight of 265.55 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropyl)-1-(chloromethyl)-3-fluorobenzene is sourced from PubChem (CID 131342110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).