1-bromo-2-(1,1-difluoropropyl)benzene

C9H9BrF2 — CID 116841343

IUPAC1-bromo-2-(1,1-difluoropropyl)benzene
SMILESCCC(F)(F)c1ccccc1Br
InChIInChI=1S/C9H9BrF2/c1-2-9(11,12)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
InChIKeyHIQKJURHSOFINA-UHFFFAOYSA-N
MW235.07 g/mol
LogP3.95
Rot. Bonds2

About 1-bromo-2-(1,1-difluoropropyl)benzene

1-bromo-2-(1,1-difluoropropyl)benzene (PubChem CID 116841343) has the molecular formula C9H9BrF2 and a molecular weight of 235.07 g/mol. Its IUPAC name is 1-bromo-2-(1,1-difluoropropyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(1,1-difluoropropyl)benzene
PubChem CID116841343
Molecular FormulaC9H9BrF2
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Name1-bromo-2-(1,1-difluoropropyl)benzene
SMILESCCC(F)(F)c1ccccc1Br
InChIInChI=1S/C9H9BrF2/c1-2-9(11,12)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
InChIKeyHIQKJURHSOFINA-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Bromotoluene
CID 7236
2,2'-Dibromobiphenyl
CID 83060
(1-Bromoethyl)benzene
CID 11454
2-Bromobiphenyl
CID 16329
1-Bromo-4-ethylbenzene
CID 15313
2-Bromomesitylene
CID 68473
Benzene, 2-bromo-1,4-dimethyl-
CID 11121
Benzene, 1-bromo-2-(trifluoromethyl)-
CID 9806
2-Bromobenzyl bromide
CID 76965
2-Bromo-m-xylene
CID 68471
1-Bromo-4-propylbenzene
CID 136374
2-Bromostyrene
CID 16264

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(1,1-difluoropropyl)benzene?
The IUPAC name of 1-bromo-2-(1,1-difluoropropyl)benzene (CID 116841343) is 1-bromo-2-(1,1-difluoropropyl)benzene.
What is the SMILES notation for 1-bromo-2-(1,1-difluoropropyl)benzene?
The canonical SMILES for 1-bromo-2-(1,1-difluoropropyl)benzene is CCC(F)(F)c1ccccc1Br.
What is the InChIKey of 1-bromo-2-(1,1-difluoropropyl)benzene?
The InChIKey is HIQKJURHSOFINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2/c1-2-9(11,12)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3.
What are the key properties of 1-bromo-2-(1,1-difluoropropyl)benzene?
1-bromo-2-(1,1-difluoropropyl)benzene has a molecular weight of 235.07 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(1,1-difluoropropyl)benzene is sourced from PubChem (CID 116841343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).