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

C11H12BrFO — CID 62142376

IUPAC2-bromo-1-(cyclobutyloxymethyl)-4-fluorobenzene
SMILESFc1ccc(COC2CCC2)c(Br)c1
InChIInChI=1S/C11H12BrFO/c12-11-6-9(13)5-4-8(11)7-14-10-2-1-3-10/h4-6,10H,1-3,7H2
InChIKeyZMJZGRCNDACZHY-UHFFFAOYSA-N
MW259.12 g/mol
LogP3.66
Rot. Bonds3

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

2-bromo-1-(cyclobutyloxymethyl)-4-fluorobenzene (PubChem CID 62142376) has the molecular formula C11H12BrFO and a molecular weight of 259.12 g/mol. Its IUPAC name is 2-bromo-1-(cyclobutyloxymethyl)-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-(cyclobutyloxymethyl)-4-fluorobenzene
PubChem CID62142376
Molecular FormulaC11H12BrFO
Molecular Weight259.12 g/mol
Exact Mass258.01
IUPAC Name2-bromo-1-(cyclobutyloxymethyl)-4-fluorobenzene
SMILESFc1ccc(COC2CCC2)c(Br)c1
InChIInChI=1S/C11H12BrFO/c12-11-6-9(13)5-4-8(11)7-14-10-2-1-3-10/h4-6,10H,1-3,7H2
InChIKeyZMJZGRCNDACZHY-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(cyclobutyloxymethyl)-4-fluorobenzene?
The IUPAC name of 2-bromo-1-(cyclobutyloxymethyl)-4-fluorobenzene (CID 62142376) is 2-bromo-1-(cyclobutyloxymethyl)-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1-(cyclobutyloxymethyl)-4-fluorobenzene?
The canonical SMILES for 2-bromo-1-(cyclobutyloxymethyl)-4-fluorobenzene is Fc1ccc(COC2CCC2)c(Br)c1.
What is the InChIKey of 2-bromo-1-(cyclobutyloxymethyl)-4-fluorobenzene?
The InChIKey is ZMJZGRCNDACZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO/c12-11-6-9(13)5-4-8(11)7-14-10-2-1-3-10/h4-6,10H,1-3,7H2.
What are the key properties of 2-bromo-1-(cyclobutyloxymethyl)-4-fluorobenzene?
2-bromo-1-(cyclobutyloxymethyl)-4-fluorobenzene has a molecular weight of 259.12 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(cyclobutyloxymethyl)-4-fluorobenzene is sourced from PubChem (CID 62142376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).