5-bromo-1-chloro-2-fluoro-3-(2-methylpropoxy)benzene

C10H11BrClFO — CID 171368274

IUPAC5-bromo-1-chloro-2-fluoro-3-(2-methylpropoxy)benzene
SMILESCC(C)COc1cc(Br)cc(Cl)c1F
InChIInChI=1S/C10H11BrClFO/c1-6(2)5-14-9-4-7(11)3-8(12)10(9)13/h3-4,6H,5H2,1-2H3
InChIKeyLAENNBVDIBPGHL-UHFFFAOYSA-N
MW281.55 g/mol
LogP4.28
Rot. Bonds3

About 5-bromo-1-chloro-2-fluoro-3-(2-methylpropoxy)benzene

5-bromo-1-chloro-2-fluoro-3-(2-methylpropoxy)benzene (PubChem CID 171368274) has the molecular formula C10H11BrClFO and a molecular weight of 281.55 g/mol. Its IUPAC name is 5-bromo-1-chloro-2-fluoro-3-(2-methylpropoxy)benzene.

Molecular Properties

Compound Name5-bromo-1-chloro-2-fluoro-3-(2-methylpropoxy)benzene
PubChem CID171368274
Molecular FormulaC10H11BrClFO
Molecular Weight281.55 g/mol
Exact Mass279.97
IUPAC Name5-bromo-1-chloro-2-fluoro-3-(2-methylpropoxy)benzene
SMILESCC(C)COc1cc(Br)cc(Cl)c1F
InChIInChI=1S/C10H11BrClFO/c1-6(2)5-14-9-4-7(11)3-8(12)10(9)13/h3-4,6H,5H2,1-2H3
InChIKeyLAENNBVDIBPGHL-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.55
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1-butoxy-3-chloro-2-fluorobenzene
CID 125116125
3-chloro-2-fluoro-5-(2-methylpropoxy)benzaldehyde
CID 171368194
5-bromo-2-chloro-4-(2-methylpropoxy)pyridine
CID 162680709
4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene
CID 155928749
4-bromo-2-fluoro-5-(2-methylpropoxy)aniline
CID 139036041
1-bromo-3-(2-methylpropoxy)-5-(trifluoromethyl)benzene
CID 169336642
1-bromo-2-fluoro-5-methoxy-4-(2-methylpropoxy)benzene
CID 155923679
(2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol
CID 106933022
[4-bromo-2-(2-methylpropoxy)phenyl]methanamine
CID 115581634
4-bromo-2-methyl-1-(2-methylpropoxy)benzene
CID 63529292
3,4-difluoro-5-(2-methylpropoxy)benzoic acid
CID 91655660
1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene
CID 154939698

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-chloro-2-fluoro-3-(2-methylpropoxy)benzene?
The IUPAC name of 5-bromo-1-chloro-2-fluoro-3-(2-methylpropoxy)benzene (CID 171368274) is 5-bromo-1-chloro-2-fluoro-3-(2-methylpropoxy)benzene.
What is the SMILES notation for 5-bromo-1-chloro-2-fluoro-3-(2-methylpropoxy)benzene?
The canonical SMILES for 5-bromo-1-chloro-2-fluoro-3-(2-methylpropoxy)benzene is CC(C)COc1cc(Br)cc(Cl)c1F.
What is the InChIKey of 5-bromo-1-chloro-2-fluoro-3-(2-methylpropoxy)benzene?
The InChIKey is LAENNBVDIBPGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClFO/c1-6(2)5-14-9-4-7(11)3-8(12)10(9)13/h3-4,6H,5H2,1-2H3.
What are the key properties of 5-bromo-1-chloro-2-fluoro-3-(2-methylpropoxy)benzene?
5-bromo-1-chloro-2-fluoro-3-(2-methylpropoxy)benzene has a molecular weight of 281.55 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-chloro-2-fluoro-3-(2-methylpropoxy)benzene is sourced from PubChem (CID 171368274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).