2-bromo-1-fluoro-4-(1-fluoroethyl)benzene

C8H7BrF2 — CID 84686324

IUPAC2-bromo-1-fluoro-4-(1-fluoroethyl)benzene
SMILESCC(F)c1ccc(F)c(Br)c1
InChIInChI=1S/C8H7BrF2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-5H,1H3
InChIKeyDREIVQSYIVFVEY-UHFFFAOYSA-N
MW221.04 g/mol
LogP3.62
Rot. Bonds1

About 2-bromo-1-fluoro-4-(1-fluoroethyl)benzene

2-bromo-1-fluoro-4-(1-fluoroethyl)benzene (PubChem CID 84686324) has the molecular formula C8H7BrF2 and a molecular weight of 221.04 g/mol. Its IUPAC name is 2-bromo-1-fluoro-4-(1-fluoroethyl)benzene.

Molecular Properties

Compound Name2-bromo-1-fluoro-4-(1-fluoroethyl)benzene
PubChem CID84686324
Molecular FormulaC8H7BrF2
Molecular Weight221.04 g/mol
Exact Mass219.97
IUPAC Name2-bromo-1-fluoro-4-(1-fluoroethyl)benzene
SMILESCC(F)c1ccc(F)c(Br)c1
InChIInChI=1S/C8H7BrF2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-5H,1H3
InChIKeyDREIVQSYIVFVEY-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-(3-bromo-4-fluorophenyl)pentan-3-one
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N-[1-(3-bromo-4-fluorophenyl)ethyl]aniline
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2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-4-(1-fluoroethyl)benzene?
The IUPAC name of 2-bromo-1-fluoro-4-(1-fluoroethyl)benzene (CID 84686324) is 2-bromo-1-fluoro-4-(1-fluoroethyl)benzene.
What is the SMILES notation for 2-bromo-1-fluoro-4-(1-fluoroethyl)benzene?
The canonical SMILES for 2-bromo-1-fluoro-4-(1-fluoroethyl)benzene is CC(F)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-bromo-1-fluoro-4-(1-fluoroethyl)benzene?
The InChIKey is DREIVQSYIVFVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-5H,1H3.
What are the key properties of 2-bromo-1-fluoro-4-(1-fluoroethyl)benzene?
2-bromo-1-fluoro-4-(1-fluoroethyl)benzene has a molecular weight of 221.04 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-fluoro-4-(1-fluoroethyl)benzene is sourced from PubChem (CID 84686324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).