1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene

C13H8BrCl2FO — CID 79701275

IUPAC1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene
SMILESFc1cc(Br)cc(COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H8BrCl2FO/c14-9-3-8(4-11(17)5-9)7-18-13-2-1-10(15)6-12(13)16/h1-6H,7H2
InChIKeyOZGHVPWAUKEXBH-UHFFFAOYSA-N
MW350.01 g/mol
LogP5.47
Rot. Bonds3

About 1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene

1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene (PubChem CID 79701275) has the molecular formula C13H8BrCl2FO and a molecular weight of 350.01 g/mol. Its IUPAC name is 1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene
PubChem CID79701275
Molecular FormulaC13H8BrCl2FO
Molecular Weight350.01 g/mol
Exact Mass347.91
IUPAC Name1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene
SMILESFc1cc(Br)cc(COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H8BrCl2FO/c14-9-3-8(4-11(17)5-9)7-18-13-2-1-10(15)6-12(13)16/h1-6H,7H2
InChIKeyOZGHVPWAUKEXBH-UHFFFAOYSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.01
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloroaniline
CID 79705494
2-[(3-bromo-5-fluorophenyl)methoxy]-4-chloroaniline
CID 79703808
1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene
CID 79701274
3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine
CID 115580492
[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methanamine
CID 114318396
3-chloro-4-[(3,5-difluorophenyl)methoxy]aniline
CID 86037311
1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene
CID 83233067
[5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol
CID 79705698
1-[3-bromo-4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 79704143
3-bromo-4-[(3-bromo-5-fluorophenyl)methoxy]benzoic acid
CID 79706770
3-[(2-chloro-4-fluorophenoxy)methyl]-5-fluoroaniline
CID 112646523
4-[(3-bromo-5-fluorophenyl)methoxy]-3-fluorobenzenecarbothioamide
CID 107665739

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene?
The IUPAC name of 1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene (CID 79701275) is 1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene.
What is the SMILES notation for 1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene?
The canonical SMILES for 1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene is Fc1cc(Br)cc(COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene?
The InChIKey is OZGHVPWAUKEXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2FO/c14-9-3-8(4-11(17)5-9)7-18-13-2-1-10(15)6-12(13)16/h1-6H,7H2.
What are the key properties of 1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene?
1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene has a molecular weight of 350.01 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene is sourced from PubChem (CID 79701275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).