1-bromo-2-(1-fluoroethyl)-3-methoxybenzene

C9H10BrFO — CID 84696327

IUPAC1-bromo-2-(1-fluoroethyl)-3-methoxybenzene
SMILESCOc1cccc(Br)c1C(C)F
InChIInChI=1S/C9H10BrFO/c1-6(11)9-7(10)4-3-5-8(9)12-2/h3-6H,1-2H3
InChIKeyWPEQMPIJZAFHDM-UHFFFAOYSA-N
MW233.08 g/mol
LogP3.49
Rot. Bonds2

About 1-bromo-2-(1-fluoroethyl)-3-methoxybenzene

1-bromo-2-(1-fluoroethyl)-3-methoxybenzene (PubChem CID 84696327) has the molecular formula C9H10BrFO and a molecular weight of 233.08 g/mol. Its IUPAC name is 1-bromo-2-(1-fluoroethyl)-3-methoxybenzene.

Molecular Properties

Compound Name1-bromo-2-(1-fluoroethyl)-3-methoxybenzene
PubChem CID84696327
Molecular FormulaC9H10BrFO
Molecular Weight233.08 g/mol
Exact Mass231.99
IUPAC Name1-bromo-2-(1-fluoroethyl)-3-methoxybenzene
SMILESCOc1cccc(Br)c1C(C)F
InChIInChI=1S/C9H10BrFO/c1-6(11)9-7(10)4-3-5-8(9)12-2/h3-6H,1-2H3
InChIKeyWPEQMPIJZAFHDM-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-6-fluorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 114886958
1,2-dibromo-3-methoxybenzene
CID 11958056
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171261396
1-bromo-3-methoxy-2-methylbenzene
CID 18505255
2-(1-chloroethyl)-1,3-dimethoxybenzene
CID 130480511
1-bromo-2-methoxybenzene;ethane
CID 91096433
1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine
CID 117347308
[(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]hydrazine
CID 105208713
2-amino-1-(2-bromo-6-methoxyphenyl)propan-1-one
CID 84709286
(2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine
CID 130691963
4-amino-4-(2-bromo-6-methoxyphenyl)butanoic acid
CID 117464771
(2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838561

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(1-fluoroethyl)-3-methoxybenzene?
The IUPAC name of 1-bromo-2-(1-fluoroethyl)-3-methoxybenzene (CID 84696327) is 1-bromo-2-(1-fluoroethyl)-3-methoxybenzene.
What is the SMILES notation for 1-bromo-2-(1-fluoroethyl)-3-methoxybenzene?
The canonical SMILES for 1-bromo-2-(1-fluoroethyl)-3-methoxybenzene is COc1cccc(Br)c1C(C)F.
What is the InChIKey of 1-bromo-2-(1-fluoroethyl)-3-methoxybenzene?
The InChIKey is WPEQMPIJZAFHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO/c1-6(11)9-7(10)4-3-5-8(9)12-2/h3-6H,1-2H3.
What are the key properties of 1-bromo-2-(1-fluoroethyl)-3-methoxybenzene?
1-bromo-2-(1-fluoroethyl)-3-methoxybenzene has a molecular weight of 233.08 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(1-fluoroethyl)-3-methoxybenzene is sourced from PubChem (CID 84696327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).