2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1-chloro-3-fluorobenzene

C13H15BrClFO — CID 83053697

IUPAC2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1-chloro-3-fluorobenzene
SMILESCCC1(C)C(Br)CC1Oc1c(F)cccc1Cl
InChIInChI=1S/C13H15BrClFO/c1-3-13(2)10(14)7-11(13)17-12-8(15)5-4-6-9(12)16/h4-6,10-11H,3,7H2,1-2H3
InChIKeyCDHGETLVVMVPEM-UHFFFAOYSA-N
MW321.62 g/mol
LogP4.81
Rot. Bonds3

About 2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1-chloro-3-fluorobenzene

2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1-chloro-3-fluorobenzene (PubChem CID 83053697) has the molecular formula C13H15BrClFO and a molecular weight of 321.62 g/mol. Its IUPAC name is 2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1-chloro-3-fluorobenzene.

Molecular Properties

Compound Name2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1-chloro-3-fluorobenzene
PubChem CID83053697
Molecular FormulaC13H15BrClFO
Molecular Weight321.62 g/mol
Exact Mass320.00
IUPAC Name2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1-chloro-3-fluorobenzene
SMILESCCC1(C)C(Br)CC1Oc1c(F)cccc1Cl
InChIInChI=1S/C13H15BrClFO/c1-3-13(2)10(14)7-11(13)17-12-8(15)5-4-6-9(12)16/h4-6,10-11H,3,7H2,1-2H3
InChIKeyCDHGETLVVMVPEM-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.62
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1,3,5-trichlorobenzene
CID 66346383
2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1,3-di(propan-2-yl)benzene
CID 66346442
3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-ol
CID 66343530
4-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1-chloro-2-ethylbenzene
CID 66343875
2-ethyl-3-(2-fluoro-6-nitrophenoxy)-2-methylcyclobutan-1-ol
CID 104832502
3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-one
CID 66366424
1-chloro-3-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-fluorobenzene
CID 116691092
3-(2-chloro-6-fluorophenoxy)-2-ethoxycyclobutan-1-one
CID 104675258
1-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-3-nitrobenzene
CID 66346535
8-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-2-methylquinoline
CID 66343662
3-(2,6-dichlorophenoxy)-2,2-diethylcyclobutan-1-amine
CID 66359693
1-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-4-nitrobenzene
CID 66343582

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1-chloro-3-fluorobenzene?
The IUPAC name of 2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1-chloro-3-fluorobenzene (CID 83053697) is 2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1-chloro-3-fluorobenzene.
What is the SMILES notation for 2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1-chloro-3-fluorobenzene?
The canonical SMILES for 2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1-chloro-3-fluorobenzene is CCC1(C)C(Br)CC1Oc1c(F)cccc1Cl.
What is the InChIKey of 2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1-chloro-3-fluorobenzene?
The InChIKey is CDHGETLVVMVPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClFO/c1-3-13(2)10(14)7-11(13)17-12-8(15)5-4-6-9(12)16/h4-6,10-11H,3,7H2,1-2H3.
What are the key properties of 2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1-chloro-3-fluorobenzene?
2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1-chloro-3-fluorobenzene has a molecular weight of 321.62 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1-chloro-3-fluorobenzene is sourced from PubChem (CID 83053697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).