1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene

C14H18BrFO2 — CID 103557775

IUPAC1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene
SMILESCOc1ccc(C(Br)CC2(OC)CCC2)c(F)c1
InChIInChI=1S/C14H18BrFO2/c1-17-10-4-5-11(13(16)8-10)12(15)9-14(18-2)6-3-7-14/h4-5,8,12H,3,6-7,9H2,1-2H3
InChIKeyYFNKZYOFLXZDNK-UHFFFAOYSA-N
MW317.20 g/mol
LogP4.23
Rot. Bonds5

About 1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene

1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene (PubChem CID 103557775) has the molecular formula C14H18BrFO2 and a molecular weight of 317.20 g/mol. Its IUPAC name is 1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene
PubChem CID103557775
Molecular FormulaC14H18BrFO2
Molecular Weight317.20 g/mol
Exact Mass316.05
IUPAC Name1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene
SMILESCOc1ccc(C(Br)CC2(OC)CCC2)c(F)c1
InChIInChI=1S/C14H18BrFO2/c1-17-10-4-5-11(13(16)8-10)12(15)9-14(18-2)6-3-7-14/h4-5,8,12H,3,6-7,9H2,1-2H3
InChIKeyYFNKZYOFLXZDNK-UHFFFAOYSA-N
XLogP4.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-1,4-dichlorobenzene
CID 103557765
1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chloro-2,4-dimethoxybenzene
CID 103557885
2-(1-methoxycyclobutyl)-1-(4-methoxy-2-methylphenyl)-N-methylethanamine
CID 103556166
1-[bromo(cyclohexyl)methyl]-2-fluoro-4-methoxybenzene
CID 63443330
1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 63443286
1-bromo-5-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene
CID 103557900
2-[2-bromo-2-(2-fluoro-4-methoxyphenyl)ethyl]oxolane
CID 65158223
(2-fluoro-4-methoxyphenyl)-(1-methoxycyclopentyl)methanol
CID 103395478
[(2-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methyl]hydrazine
CID 103397668
1-(4-bromo-2,5-difluorophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556380
1-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]benzene
CID 103557717
1-(2-bromo-4-ethoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556435

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene?
The IUPAC name of 1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene (CID 103557775) is 1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene?
The canonical SMILES for 1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene is COc1ccc(C(Br)CC2(OC)CCC2)c(F)c1.
What is the InChIKey of 1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene?
The InChIKey is YFNKZYOFLXZDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFO2/c1-17-10-4-5-11(13(16)8-10)12(15)9-14(18-2)6-3-7-14/h4-5,8,12H,3,6-7,9H2,1-2H3.
What are the key properties of 1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene?
1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene has a molecular weight of 317.20 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene is sourced from PubChem (CID 103557775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).