2-[3-bromo-2-(bromomethyl)propyl]-1,4-difluorobenzene

C10H10Br2F2 — CID 79453351

IUPAC2-[3-bromo-2-(bromomethyl)propyl]-1,4-difluorobenzene
SMILESFc1ccc(F)c(CC(CBr)CBr)c1
InChIInChI=1S/C10H10Br2F2/c11-5-7(6-12)3-8-4-9(13)1-2-10(8)14/h1-2,4,7H,3,5-6H2
InChIKeySHGLEEWDQVGHGK-UHFFFAOYSA-N
MW327.99 g/mol
LogP3.91
Rot. Bonds4

About 2-[3-bromo-2-(bromomethyl)propyl]-1,4-difluorobenzene

2-[3-bromo-2-(bromomethyl)propyl]-1,4-difluorobenzene (PubChem CID 79453351) has the molecular formula C10H10Br2F2 and a molecular weight of 327.99 g/mol. Its IUPAC name is 2-[3-bromo-2-(bromomethyl)propyl]-1,4-difluorobenzene.

Molecular Properties

Compound Name2-[3-bromo-2-(bromomethyl)propyl]-1,4-difluorobenzene
PubChem CID79453351
Molecular FormulaC10H10Br2F2
Molecular Weight327.99 g/mol
Exact Mass325.91
IUPAC Name2-[3-bromo-2-(bromomethyl)propyl]-1,4-difluorobenzene
SMILESFc1ccc(F)c(CC(CBr)CBr)c1
InChIInChI=1S/C10H10Br2F2/c11-5-7(6-12)3-8-4-9(13)1-2-10(8)14/h1-2,4,7H,3,5-6H2
InChIKeySHGLEEWDQVGHGK-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.99
LogP ≤ 53.91
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

2-[2-(bromomethyl)-4-methylpentyl]-1,4-difluorobenzene
CID 66050500
2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene
CID 66042131
4-bromo-2-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-1-fluorobenzene
CID 66040750
1-bromo-2-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-4-fluorobenzene
CID 66041556
2-[2-[(2-bromophenyl)methyl]-3-chloropropyl]-1,4-difluorobenzene
CID 66048611
2-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1-chloro-4-fluorobenzene
CID 102621383
1-[3-bromo-2-(bromomethyl)propyl]-4-fluorobenzene
CID 79452753
2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62528800
2-[(2,5-difluorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62515213
2-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,4-difluorobenzene
CID 66048162
2-(3-bromo-2-methylpentyl)-1,4-difluorobenzene
CID 63560139
3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 62505348

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-(bromomethyl)propyl]-1,4-difluorobenzene?
The IUPAC name of 2-[3-bromo-2-(bromomethyl)propyl]-1,4-difluorobenzene (CID 79453351) is 2-[3-bromo-2-(bromomethyl)propyl]-1,4-difluorobenzene.
What is the SMILES notation for 2-[3-bromo-2-(bromomethyl)propyl]-1,4-difluorobenzene?
The canonical SMILES for 2-[3-bromo-2-(bromomethyl)propyl]-1,4-difluorobenzene is Fc1ccc(F)c(CC(CBr)CBr)c1.
What is the InChIKey of 2-[3-bromo-2-(bromomethyl)propyl]-1,4-difluorobenzene?
The InChIKey is SHGLEEWDQVGHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2F2/c11-5-7(6-12)3-8-4-9(13)1-2-10(8)14/h1-2,4,7H,3,5-6H2.
What are the key properties of 2-[3-bromo-2-(bromomethyl)propyl]-1,4-difluorobenzene?
2-[3-bromo-2-(bromomethyl)propyl]-1,4-difluorobenzene has a molecular weight of 327.99 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-2-(bromomethyl)propyl]-1,4-difluorobenzene is sourced from PubChem (CID 79453351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).