2-bromo-4-(2-cyclobutylethoxymethyl)-1-fluorobenzene

C13H16BrFO — CID 106203749

IUPAC2-bromo-4-(2-cyclobutylethoxymethyl)-1-fluorobenzene
SMILESFc1ccc(COCCC2CCC2)cc1Br
InChIInChI=1S/C13H16BrFO/c14-12-8-11(4-5-13(12)15)9-16-7-6-10-2-1-3-10/h4-5,8,10H,1-3,6-7,9H2
InChIKeyOZIYJBKALYIHRV-UHFFFAOYSA-N
MW287.17 g/mol
LogP4.30
Rot. Bonds5

About 2-bromo-4-(2-cyclobutylethoxymethyl)-1-fluorobenzene

2-bromo-4-(2-cyclobutylethoxymethyl)-1-fluorobenzene (PubChem CID 106203749) has the molecular formula C13H16BrFO and a molecular weight of 287.17 g/mol. Its IUPAC name is 2-bromo-4-(2-cyclobutylethoxymethyl)-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-(2-cyclobutylethoxymethyl)-1-fluorobenzene
PubChem CID106203749
Molecular FormulaC13H16BrFO
Molecular Weight287.17 g/mol
Exact Mass286.04
IUPAC Name2-bromo-4-(2-cyclobutylethoxymethyl)-1-fluorobenzene
SMILESFc1ccc(COCCC2CCC2)cc1Br
InChIInChI=1S/C13H16BrFO/c14-12-8-11(4-5-13(12)15)9-16-7-6-10-2-1-3-10/h4-5,8,10H,1-3,6-7,9H2
InChIKeyOZIYJBKALYIHRV-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-(cyclopentylmethoxymethyl)-1-fluorobenzene
CID 66322231
1-bromo-4-(2-cyclobutylethoxymethyl)benzene
CID 106203728
1-[3-bromo-4-(2-cyclobutylethoxymethyl)phenyl]-N-methylmethanamine
CID 106206004
1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene
CID 106203735
N-[(3-bromo-4-fluorophenyl)methyl]-2-cyclohexylethanamine
CID 63448345
1-(3-bromo-4-fluorophenyl)-4-cyclopentylbutan-2-amine
CID 115818846
4-(2-cyclobutylethoxymethyl)benzoic acid
CID 106199345
1-[(3-bromo-4-fluorophenyl)methoxymethyl]cyclopentan-1-amine
CID 64571813
(E)-3-[5-(2-cyclopropylethoxymethyl)-2-fluorophenyl]prop-2-enoic acid
CID 106203860
3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine
CID 107882752
[5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine
CID 114157330
[1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170422

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-cyclobutylethoxymethyl)-1-fluorobenzene?
The IUPAC name of 2-bromo-4-(2-cyclobutylethoxymethyl)-1-fluorobenzene (CID 106203749) is 2-bromo-4-(2-cyclobutylethoxymethyl)-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-(2-cyclobutylethoxymethyl)-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-(2-cyclobutylethoxymethyl)-1-fluorobenzene is Fc1ccc(COCCC2CCC2)cc1Br.
What is the InChIKey of 2-bromo-4-(2-cyclobutylethoxymethyl)-1-fluorobenzene?
The InChIKey is OZIYJBKALYIHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFO/c14-12-8-11(4-5-13(12)15)9-16-7-6-10-2-1-3-10/h4-5,8,10H,1-3,6-7,9H2.
What are the key properties of 2-bromo-4-(2-cyclobutylethoxymethyl)-1-fluorobenzene?
2-bromo-4-(2-cyclobutylethoxymethyl)-1-fluorobenzene has a molecular weight of 287.17 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-cyclobutylethoxymethyl)-1-fluorobenzene is sourced from PubChem (CID 106203749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).