1-bromo-4-(3,3-difluorobutyl)benzene

C10H11BrF2 — CID 84706880

IUPAC1-bromo-4-(3,3-difluorobutyl)benzene
SMILESCC(F)(F)CCc1ccc(Br)cc1
InChIInChI=1S/C10H11BrF2/c1-10(12,13)7-6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3
InChIKeyUNXJUXLUMKQRLG-UHFFFAOYSA-N
MW249.10 g/mol
LogP4.04
Rot. Bonds3

About 1-bromo-4-(3,3-difluorobutyl)benzene

1-bromo-4-(3,3-difluorobutyl)benzene (PubChem CID 84706880) has the molecular formula C10H11BrF2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 1-bromo-4-(3,3-difluorobutyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(3,3-difluorobutyl)benzene
PubChem CID84706880
Molecular FormulaC10H11BrF2
Molecular Weight249.10 g/mol
Exact Mass248.00
IUPAC Name1-bromo-4-(3,3-difluorobutyl)benzene
SMILESCC(F)(F)CCc1ccc(Br)cc1
InChIInChI=1S/C10H11BrF2/c1-10(12,13)7-6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3
InChIKeyUNXJUXLUMKQRLG-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-(3-fluoro-3-methylbutyl)benzene
CID 84704942
4-(4-bromophenyl)-2-fluoro-2-methylbutan-1-amine
CID 84729556
2-[4-(3,3-difluorobutyl)phenyl]ethanamine
CID 84679777
4-(3,3-difluorobutyl)phenol
CID 84660566
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene
CID 142625431
magnesium;1-bromo-4-propylbenzene;hydride
CID 173224874
2-amino-4-(4-bromophenyl)-2-methylbutanenitrile;hydrochloride
CID 75366211
2-amino-4-(4-bromophenyl)-2-methylbutanoic acid
CID 56687127
[4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate
CID 151939532
1-bromo-4-(4-fluoro-2,2-dimethylbutyl)benzene
CID 174478288
tris(4-(4-bromophenyl)-2,2-dimethylbutanoic acid);molecular iodine;tris(sulfur dioxide)
CID 161447417

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3,3-difluorobutyl)benzene?
The IUPAC name of 1-bromo-4-(3,3-difluorobutyl)benzene (CID 84706880) is 1-bromo-4-(3,3-difluorobutyl)benzene.
What is the SMILES notation for 1-bromo-4-(3,3-difluorobutyl)benzene?
The canonical SMILES for 1-bromo-4-(3,3-difluorobutyl)benzene is CC(F)(F)CCc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(3,3-difluorobutyl)benzene?
The InChIKey is UNXJUXLUMKQRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2/c1-10(12,13)7-6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3.
What are the key properties of 1-bromo-4-(3,3-difluorobutyl)benzene?
1-bromo-4-(3,3-difluorobutyl)benzene has a molecular weight of 249.10 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3,3-difluorobutyl)benzene is sourced from PubChem (CID 84706880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).