1-bromo-4-ethyl-5-fluoro-2-methoxybenzene

C9H10BrFO — CID 144671819

IUPAC1-bromo-4-ethyl-5-fluoro-2-methoxybenzene
SMILESCCc1cc(OC)c(Br)cc1F
InChIInChI=1S/C9H10BrFO/c1-3-6-4-9(12-2)7(10)5-8(6)11/h4-5H,3H2,1-2H3
InChIKeyPFCIIXBJKGURMH-UHFFFAOYSA-N
MW233.08 g/mol
LogP3.16
Rot. Bonds2

About 1-bromo-4-ethyl-5-fluoro-2-methoxybenzene

1-bromo-4-ethyl-5-fluoro-2-methoxybenzene (PubChem CID 144671819) has the molecular formula C9H10BrFO and a molecular weight of 233.08 g/mol. Its IUPAC name is 1-bromo-4-ethyl-5-fluoro-2-methoxybenzene.

Molecular Properties

Compound Name1-bromo-4-ethyl-5-fluoro-2-methoxybenzene
PubChem CID144671819
Molecular FormulaC9H10BrFO
Molecular Weight233.08 g/mol
Exact Mass231.99
IUPAC Name1-bromo-4-ethyl-5-fluoro-2-methoxybenzene
SMILESCCc1cc(OC)c(Br)cc1F
InChIInChI=1S/C9H10BrFO/c1-3-6-4-9(12-2)7(10)5-8(6)11/h4-5H,3H2,1-2H3
InChIKeyPFCIIXBJKGURMH-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-5-ethyl-2,4-dimethoxybenzene
CID 58764118
1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
CID 84810981
1-bromo-5-fluoro-2-methoxy-4-methylbenzene
CID 57022351
2-(5-bromo-2-fluoro-4-methoxyphenyl)acetonitrile
CID 84802361
N-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-N-methylhydroxylamine
CID 84807291
2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 84710711
ethane;1-ethyl-5-fluoro-2-methoxy-4-propylbenzene
CID 168958922
3-(5-bromo-2-fluoro-4-methoxyphenyl)propanenitrile
CID 84805684
3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117375997
1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene
CID 64787018
1-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-2-ol
CID 117303123
2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol
CID 84711161

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-ethyl-5-fluoro-2-methoxybenzene?
The IUPAC name of 1-bromo-4-ethyl-5-fluoro-2-methoxybenzene (CID 144671819) is 1-bromo-4-ethyl-5-fluoro-2-methoxybenzene.
What is the SMILES notation for 1-bromo-4-ethyl-5-fluoro-2-methoxybenzene?
The canonical SMILES for 1-bromo-4-ethyl-5-fluoro-2-methoxybenzene is CCc1cc(OC)c(Br)cc1F.
What is the InChIKey of 1-bromo-4-ethyl-5-fluoro-2-methoxybenzene?
The InChIKey is PFCIIXBJKGURMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO/c1-3-6-4-9(12-2)7(10)5-8(6)11/h4-5H,3H2,1-2H3.
What are the key properties of 1-bromo-4-ethyl-5-fluoro-2-methoxybenzene?
1-bromo-4-ethyl-5-fluoro-2-methoxybenzene has a molecular weight of 233.08 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-ethyl-5-fluoro-2-methoxybenzene is sourced from PubChem (CID 144671819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).