2-(4-bromobutan-2-yl)-1,3-difluorobenzene

C10H11BrF2 — CID 83925329

IUPAC2-(4-bromobutan-2-yl)-1,3-difluorobenzene
SMILESCC(CCBr)c1c(F)cccc1F
InChIInChI=1S/C10H11BrF2/c1-7(5-6-11)10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3
InChIKeyZZVXSKIBVOZXDI-UHFFFAOYSA-N
MW249.10 g/mol
LogP3.85
Rot. Bonds3

About 2-(4-bromobutan-2-yl)-1,3-difluorobenzene

2-(4-bromobutan-2-yl)-1,3-difluorobenzene (PubChem CID 83925329) has the molecular formula C10H11BrF2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 2-(4-bromobutan-2-yl)-1,3-difluorobenzene.

Molecular Properties

Compound Name2-(4-bromobutan-2-yl)-1,3-difluorobenzene
PubChem CID83925329
Molecular FormulaC10H11BrF2
Molecular Weight249.10 g/mol
Exact Mass248.00
IUPAC Name2-(4-bromobutan-2-yl)-1,3-difluorobenzene
SMILESCC(CCBr)c1c(F)cccc1F
InChIInChI=1S/C10H11BrF2/c1-7(5-6-11)10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3
InChIKeyZZVXSKIBVOZXDI-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
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

3-(2,6-difluorophenyl)butane-1-thiol
CID 83925324
2-butan-2-yl-1,3-difluorobenzene
CID 56605716
5-(2,6-difluorophenyl)hexan-2-one
CID 83925322
4-(2,6-difluorophenyl)pentanoic acid
CID 135358255
4-bromo-1-(2,6-difluorophenyl)butane-1,2-diol
CID 171891582
N-[3-(2,6-difluorophenyl)butyl]cyclopropanamine
CID 81018611
1,3-difluoro-2-pent-4-yn-2-ylbenzene
CID 83925354
1,3-difluoro-2-[(Z)-hex-4-en-2-yl]benzene
CID 83925405
4-(2-chloro-6-fluorophenyl)pentan-1-amine
CID 83925264
2-(4-aminobutan-2-yl)-3-fluoro-N,N-dimethylaniline
CID 117300770
1-tert-butyl-3-fluoro-2-pentan-2-ylbenzene
CID 166767339
1-(2,6-difluorophenyl)ethanol
CID 5012075

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromobutan-2-yl)-1,3-difluorobenzene?
The IUPAC name of 2-(4-bromobutan-2-yl)-1,3-difluorobenzene (CID 83925329) is 2-(4-bromobutan-2-yl)-1,3-difluorobenzene.
What is the SMILES notation for 2-(4-bromobutan-2-yl)-1,3-difluorobenzene?
The canonical SMILES for 2-(4-bromobutan-2-yl)-1,3-difluorobenzene is CC(CCBr)c1c(F)cccc1F.
What is the InChIKey of 2-(4-bromobutan-2-yl)-1,3-difluorobenzene?
The InChIKey is ZZVXSKIBVOZXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2/c1-7(5-6-11)10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3.
What are the key properties of 2-(4-bromobutan-2-yl)-1,3-difluorobenzene?
2-(4-bromobutan-2-yl)-1,3-difluorobenzene has a molecular weight of 249.10 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromobutan-2-yl)-1,3-difluorobenzene is sourced from PubChem (CID 83925329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).