1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]azetidine

C11H12BrClFNO — CID 171109307

IUPAC1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]azetidine
SMILESFc1cc(Cl)cc(Br)c1OCCN1CCC1
InChIInChI=1S/C11H12BrClFNO/c12-9-6-8(13)7-10(14)11(9)16-5-4-15-2-1-3-15/h6-7H,1-5H2
InChIKeyYCWUANIWUCWBOP-UHFFFAOYSA-N
MW308.58 g/mol
LogP3.33
Rot. Bonds4

About 1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]azetidine

1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]azetidine (PubChem CID 171109307) has the molecular formula C11H12BrClFNO and a molecular weight of 308.58 g/mol. Its IUPAC name is 1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]azetidine.

Molecular Properties

Compound Name1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]azetidine
PubChem CID171109307
Molecular FormulaC11H12BrClFNO
Molecular Weight308.58 g/mol
Exact Mass306.98
IUPAC Name1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]azetidine
SMILESFc1cc(Cl)cc(Br)c1OCCN1CCC1
InChIInChI=1S/C11H12BrClFNO/c12-9-6-8(13)7-10(14)11(9)16-5-4-15-2-1-3-15/h6-7H,1-5H2
InChIKeyYCWUANIWUCWBOP-UHFFFAOYSA-N
XLogP3.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.58
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]-4-methylpiperidine
CID 171109320
tert-butyl N-[1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]piperidin-4-yl]carbamate
CID 171109323
3-bromo-5-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910960
1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine
CID 803399
1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine
CID 5336537
4-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]morpholine
CID 2995112
[3,5-dibromo-4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 107738824
2-[3,5-dichloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 54930466
3,5-difluoro-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride
CID 82921679
4-chloro-5-fluoro-6-(2-pyrrolidin-1-ylethoxy)benzene-1,3-diamine
CID 103553739
2-[3,5-dibromo-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 107739417
1-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]pyrrolidine
CID 2299454

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]azetidine?
The IUPAC name of 1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]azetidine (CID 171109307) is 1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]azetidine.
What is the SMILES notation for 1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]azetidine?
The canonical SMILES for 1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]azetidine is Fc1cc(Cl)cc(Br)c1OCCN1CCC1.
What is the InChIKey of 1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]azetidine?
The InChIKey is YCWUANIWUCWBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO/c12-9-6-8(13)7-10(14)11(9)16-5-4-15-2-1-3-15/h6-7H,1-5H2.
What are the key properties of 1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]azetidine?
1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]azetidine has a molecular weight of 308.58 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]azetidine is sourced from PubChem (CID 171109307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).