3-bromo-1-ethyl-2,4-difluorobenzene

C8H7BrF2 — CID 126670968

IUPAC3-bromo-1-ethyl-2,4-difluorobenzene
SMILESCCc1ccc(F)c(Br)c1F
InChIInChI=1S/C8H7BrF2/c1-2-5-3-4-6(10)7(9)8(5)11/h3-4H,2H2,1H3
InChIKeyHXFVGCTUPANDSO-UHFFFAOYSA-N
MW221.04 g/mol
LogP3.29
Rot. Bonds1

About 3-bromo-1-ethyl-2,4-difluorobenzene

3-bromo-1-ethyl-2,4-difluorobenzene (PubChem CID 126670968) has the molecular formula C8H7BrF2 and a molecular weight of 221.04 g/mol. Its IUPAC name is 3-bromo-1-ethyl-2,4-difluorobenzene.

Molecular Properties

Compound Name3-bromo-1-ethyl-2,4-difluorobenzene
PubChem CID126670968
Molecular FormulaC8H7BrF2
Molecular Weight221.04 g/mol
Exact Mass219.97
IUPAC Name3-bromo-1-ethyl-2,4-difluorobenzene
SMILESCCc1ccc(F)c(Br)c1F
InChIInChI=1S/C8H7BrF2/c1-2-5-3-4-6(10)7(9)8(5)11/h3-4H,2H2,1H3
InChIKeyHXFVGCTUPANDSO-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-1-ethyl-3,5-difluorobenzene
CID 118836031
3-bromo-2-ethenyl-1-ethyl-4-fluorobenzene
CID 167144100
methyl 2-(3-bromo-2,4-difluorophenyl)acetate
CID 131171218
2,3-dibromo-1-fluoro-4-(fluoromethyl)benzene
CID 118830363
3-(3-bromo-2,4-difluorophenyl)-2-methylpropanoic acid
CID 84811503
3-(3-bromo-2,4-difluorophenyl)propanoic acid
CID 84807517
1-ethyl-2,4-difluoro-3-(trifluoromethyl)benzene
CID 19702594
2-bromo-1-(bromomethyl)-3-ethyl-4-fluorobenzene
CID 130140582
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
1-[(3-bromo-2,4-difluorophenyl)methyl]cyclopropan-1-amine
CID 117409349
2-bromo-4-ethyl-3-fluoropyridine
CID 130138685
2-bromo-1-(diethoxyphosphorylmethyl)-3,4-difluorobenzene
CID 171157622

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-ethyl-2,4-difluorobenzene?
The IUPAC name of 3-bromo-1-ethyl-2,4-difluorobenzene (CID 126670968) is 3-bromo-1-ethyl-2,4-difluorobenzene.
What is the SMILES notation for 3-bromo-1-ethyl-2,4-difluorobenzene?
The canonical SMILES for 3-bromo-1-ethyl-2,4-difluorobenzene is CCc1ccc(F)c(Br)c1F.
What is the InChIKey of 3-bromo-1-ethyl-2,4-difluorobenzene?
The InChIKey is HXFVGCTUPANDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2/c1-2-5-3-4-6(10)7(9)8(5)11/h3-4H,2H2,1H3.
What are the key properties of 3-bromo-1-ethyl-2,4-difluorobenzene?
3-bromo-1-ethyl-2,4-difluorobenzene has a molecular weight of 221.04 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-ethyl-2,4-difluorobenzene is sourced from PubChem (CID 126670968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).