1-bromo-2-(difluoromethyl)-4-methylbenzene

C8H7BrF2 — CID 58376181

IUPAC1-bromo-2-(difluoromethyl)-4-methylbenzene
SMILESCc1ccc(Br)c(C(F)F)c1
InChIInChI=1S/C8H7BrF2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,8H,1H3
InChIKeyHMQFHHSXNJCIDY-UHFFFAOYSA-N
MW221.04 g/mol
LogP3.70
Rot. Bonds1

About 1-bromo-2-(difluoromethyl)-4-methylbenzene

1-bromo-2-(difluoromethyl)-4-methylbenzene (PubChem CID 58376181) has the molecular formula C8H7BrF2 and a molecular weight of 221.04 g/mol. Its IUPAC name is 1-bromo-2-(difluoromethyl)-4-methylbenzene.

Molecular Properties

Compound Name1-bromo-2-(difluoromethyl)-4-methylbenzene
PubChem CID58376181
Molecular FormulaC8H7BrF2
Molecular Weight221.04 g/mol
Exact Mass219.97
IUPAC Name1-bromo-2-(difluoromethyl)-4-methylbenzene
SMILESCc1ccc(Br)c(C(F)F)c1
InChIInChI=1S/C8H7BrF2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,8H,1H3
InChIKeyHMQFHHSXNJCIDY-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(difluoromethyl)-4-methylbenzene?
The IUPAC name of 1-bromo-2-(difluoromethyl)-4-methylbenzene (CID 58376181) is 1-bromo-2-(difluoromethyl)-4-methylbenzene.
What is the SMILES notation for 1-bromo-2-(difluoromethyl)-4-methylbenzene?
The canonical SMILES for 1-bromo-2-(difluoromethyl)-4-methylbenzene is Cc1ccc(Br)c(C(F)F)c1.
What is the InChIKey of 1-bromo-2-(difluoromethyl)-4-methylbenzene?
The InChIKey is HMQFHHSXNJCIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,8H,1H3.
What are the key properties of 1-bromo-2-(difluoromethyl)-4-methylbenzene?
1-bromo-2-(difluoromethyl)-4-methylbenzene has a molecular weight of 221.04 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(difluoromethyl)-4-methylbenzene is sourced from PubChem (CID 58376181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).