2-(3-bromopropyl)-1,3-difluoro-4-methylbenzene

C10H11BrF2 — CID 82822097

IUPAC2-(3-bromopropyl)-1,3-difluoro-4-methylbenzene
SMILESCc1ccc(F)c(CCCBr)c1F
InChIInChI=1S/C10H11BrF2/c1-7-4-5-9(12)8(10(7)13)3-2-6-11/h4-5H,2-3,6H2,1H3
InChIKeyVFHZBOLRZYXVQG-UHFFFAOYSA-N
MW249.10 g/mol
LogP3.60
Rot. Bonds3

About 2-(3-bromopropyl)-1,3-difluoro-4-methylbenzene

2-(3-bromopropyl)-1,3-difluoro-4-methylbenzene (PubChem CID 82822097) has the molecular formula C10H11BrF2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 2-(3-bromopropyl)-1,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name2-(3-bromopropyl)-1,3-difluoro-4-methylbenzene
PubChem CID82822097
Molecular FormulaC10H11BrF2
Molecular Weight249.10 g/mol
Exact Mass248.00
IUPAC Name2-(3-bromopropyl)-1,3-difluoro-4-methylbenzene
SMILESCc1ccc(F)c(CCCBr)c1F
InChIInChI=1S/C10H11BrF2/c1-7-4-5-9(12)8(10(7)13)3-2-6-11/h4-5H,2-3,6H2,1H3
InChIKeyVFHZBOLRZYXVQG-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 53.60
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-(3-bromobutyl)-1,3-difluoro-4-methylbenzene
CID 82822177
4-(2,6-difluoro-3-methylphenyl)butan-2-ol
CID 82822175
2-(bromomethyl)-1-fluoro-3,4-dimethylbenzene
CID 130925987
3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine
CID 106943498
3-bromo-2-(bromomethyl)-1-fluoro-4-methylbenzene
CID 130056287
1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine
CID 117353486
2-(3-bromopropyl)-1-(chloromethyl)-3-fluorobenzene
CID 131342110
2-bromo-3-(bromomethyl)-1-fluoro-4-methylbenzene
CID 131575794
2,3-bis(bromomethyl)-1,4-difluorobenzene
CID 59382290
3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
CID 84803102
1,3-difluoro-4-methyl-2-(phenoxymethyl)benzene
CID 174488029
1-(3-bromopropyl)-2,3-difluorobenzene
CID 53433974

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropyl)-1,3-difluoro-4-methylbenzene?
The IUPAC name of 2-(3-bromopropyl)-1,3-difluoro-4-methylbenzene (CID 82822097) is 2-(3-bromopropyl)-1,3-difluoro-4-methylbenzene.
What is the SMILES notation for 2-(3-bromopropyl)-1,3-difluoro-4-methylbenzene?
The canonical SMILES for 2-(3-bromopropyl)-1,3-difluoro-4-methylbenzene is Cc1ccc(F)c(CCCBr)c1F.
What is the InChIKey of 2-(3-bromopropyl)-1,3-difluoro-4-methylbenzene?
The InChIKey is VFHZBOLRZYXVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2/c1-7-4-5-9(12)8(10(7)13)3-2-6-11/h4-5H,2-3,6H2,1H3.
What are the key properties of 2-(3-bromopropyl)-1,3-difluoro-4-methylbenzene?
2-(3-bromopropyl)-1,3-difluoro-4-methylbenzene has a molecular weight of 249.10 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropyl)-1,3-difluoro-4-methylbenzene is sourced from PubChem (CID 82822097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).