1-bromo-2-chloro-4-(1,1-difluoroethyl)benzene

C8H6BrClF2 — CID 84708621

IUPAC1-bromo-2-chloro-4-(1,1-difluoroethyl)benzene
SMILESCC(F)(F)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C8H6BrClF2/c1-8(11,12)5-2-3-6(9)7(10)4-5/h2-4H,1H3
InChIKeyLIAQKVDPILMVSA-UHFFFAOYSA-N
MW255.49 g/mol
LogP4.21
Rot. Bonds1

About 1-bromo-2-chloro-4-(1,1-difluoroethyl)benzene

1-bromo-2-chloro-4-(1,1-difluoroethyl)benzene (PubChem CID 84708621) has the molecular formula C8H6BrClF2 and a molecular weight of 255.49 g/mol. Its IUPAC name is 1-bromo-2-chloro-4-(1,1-difluoroethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-chloro-4-(1,1-difluoroethyl)benzene
PubChem CID84708621
Molecular FormulaC8H6BrClF2
Molecular Weight255.49 g/mol
Exact Mass253.93
IUPAC Name1-bromo-2-chloro-4-(1,1-difluoroethyl)benzene
SMILESCC(F)(F)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C8H6BrClF2/c1-8(11,12)5-2-3-6(9)7(10)4-5/h2-4H,1H3
InChIKeyLIAQKVDPILMVSA-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.49
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Bromo-1-chloro-4-(trifluoromethyl)benzene
CID 67988
2-Bromo-5-chlorobenzotrifluoride
CID 136172
4-Bromo-3,5-dichlorobenzotrifluoride
CID 1268256
(4-Bromo-3-chlorophenyl)acetonitrile
CID 59627726
2-Bromo-1,3-dichloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 12040587
1-Bromo-2-chloro-4-(trifluoromethyl)benzene
CID 14273266
1-Bromo-2-chloro-4,5-dimethylbenzene
CID 246684
1-Bromo-2-chloro-5-fluoro-4-methylbenzene
CID 2773272
4-Bromo-3-chlorotoluene
CID 138789
2-Bromo-1-chloro-3-methylbenzene
CID 2735553
1-Bromo-4-(bromomethyl)-2-chlorobenzene
CID 12947392
1-Bromo-4-(chlorodifluoromethyl)benzene
CID 15180830

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-4-(1,1-difluoroethyl)benzene?
The IUPAC name of 1-bromo-2-chloro-4-(1,1-difluoroethyl)benzene (CID 84708621) is 1-bromo-2-chloro-4-(1,1-difluoroethyl)benzene.
What is the SMILES notation for 1-bromo-2-chloro-4-(1,1-difluoroethyl)benzene?
The canonical SMILES for 1-bromo-2-chloro-4-(1,1-difluoroethyl)benzene is CC(F)(F)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-bromo-2-chloro-4-(1,1-difluoroethyl)benzene?
The InChIKey is LIAQKVDPILMVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClF2/c1-8(11,12)5-2-3-6(9)7(10)4-5/h2-4H,1H3.
What are the key properties of 1-bromo-2-chloro-4-(1,1-difluoroethyl)benzene?
1-bromo-2-chloro-4-(1,1-difluoroethyl)benzene has a molecular weight of 255.49 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-4-(1,1-difluoroethyl)benzene is sourced from PubChem (CID 84708621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).