2-(4-bromopentan-2-yl)-1,4-difluorobenzene

C11H13BrF2 — CID 64720370

IUPAC2-(4-bromopentan-2-yl)-1,4-difluorobenzene
SMILESCC(Br)CC(C)c1cc(F)ccc1F
InChIInChI=1S/C11H13BrF2/c1-7(5-8(2)12)10-6-9(13)3-4-11(10)14/h3-4,6-8H,5H2,1-2H3
InChIKeyUJKHCVOOUGWLGX-UHFFFAOYSA-N
MW263.12 g/mol
LogP4.24
Rot. Bonds3

About 2-(4-bromopentan-2-yl)-1,4-difluorobenzene

2-(4-bromopentan-2-yl)-1,4-difluorobenzene (PubChem CID 64720370) has the molecular formula C11H13BrF2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 2-(4-bromopentan-2-yl)-1,4-difluorobenzene.

Molecular Properties

Compound Name2-(4-bromopentan-2-yl)-1,4-difluorobenzene
PubChem CID64720370
Molecular FormulaC11H13BrF2
Molecular Weight263.12 g/mol
Exact Mass262.02
IUPAC Name2-(4-bromopentan-2-yl)-1,4-difluorobenzene
SMILESCC(Br)CC(C)c1cc(F)ccc1F
InChIInChI=1S/C11H13BrF2/c1-7(5-8(2)12)10-6-9(13)3-4-11(10)14/h3-4,6-8H,5H2,1-2H3
InChIKeyUJKHCVOOUGWLGX-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 54.24
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-(2,5-difluorophenyl)-N-methylpentan-2-amine
CID 64720969
1-(4-bromopentan-2-yl)-2,4-difluoro-5-methylbenzene
CID 130816961
1-amino-4-(2,5-difluorophenyl)pentan-2-ol
CID 83936130
1-(4-bromopentan-2-yl)-4-fluorobenzene
CID 64721249
2-bromo-1-(2,5-difluorophenyl)propan-1-ol
CID 116863317
1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
2-(1-chloro-3-methylbutyl)-1,4-difluorobenzene
CID 61086362
2-(1-chloroethyl)-1,4-difluorobenzene
CID 43114942
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
2-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
CID 83835356
3-bromo-4-(2,5-difluorophenyl)pentan-2-one
CID 64720936
1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
CID 43482933

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopentan-2-yl)-1,4-difluorobenzene?
The IUPAC name of 2-(4-bromopentan-2-yl)-1,4-difluorobenzene (CID 64720370) is 2-(4-bromopentan-2-yl)-1,4-difluorobenzene.
What is the SMILES notation for 2-(4-bromopentan-2-yl)-1,4-difluorobenzene?
The canonical SMILES for 2-(4-bromopentan-2-yl)-1,4-difluorobenzene is CC(Br)CC(C)c1cc(F)ccc1F.
What is the InChIKey of 2-(4-bromopentan-2-yl)-1,4-difluorobenzene?
The InChIKey is UJKHCVOOUGWLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2/c1-7(5-8(2)12)10-6-9(13)3-4-11(10)14/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 2-(4-bromopentan-2-yl)-1,4-difluorobenzene?
2-(4-bromopentan-2-yl)-1,4-difluorobenzene has a molecular weight of 263.12 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopentan-2-yl)-1,4-difluorobenzene is sourced from PubChem (CID 64720370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).