5-(bromomethyl)-1,3-difluoro-2-(2-propan-2-ylphenoxy)benzene

C16H15BrF2O — CID 107087316

IUPAC5-(bromomethyl)-1,3-difluoro-2-(2-propan-2-ylphenoxy)benzene
SMILESCC(C)c1ccccc1Oc1c(F)cc(CBr)cc1F
InChIInChI=1S/C16H15BrF2O/c1-10(2)12-5-3-4-6-15(12)20-16-13(18)7-11(9-17)8-14(16)19/h3-8,10H,9H2,1-2H3
InChIKeyFGDQBAXTBMPFPM-UHFFFAOYSA-N
MW341.20 g/mol
LogP5.78
Rot. Bonds4

About 5-(bromomethyl)-1,3-difluoro-2-(2-propan-2-ylphenoxy)benzene

5-(bromomethyl)-1,3-difluoro-2-(2-propan-2-ylphenoxy)benzene (PubChem CID 107087316) has the molecular formula C16H15BrF2O and a molecular weight of 341.20 g/mol. Its IUPAC name is 5-(bromomethyl)-1,3-difluoro-2-(2-propan-2-ylphenoxy)benzene.

Molecular Properties

Compound Name5-(bromomethyl)-1,3-difluoro-2-(2-propan-2-ylphenoxy)benzene
PubChem CID107087316
Molecular FormulaC16H15BrF2O
Molecular Weight341.20 g/mol
Exact Mass340.03
IUPAC Name5-(bromomethyl)-1,3-difluoro-2-(2-propan-2-ylphenoxy)benzene
SMILESCC(C)c1ccccc1Oc1c(F)cc(CBr)cc1F
InChIInChI=1S/C16H15BrF2O/c1-10(2)12-5-3-4-6-15(12)20-16-13(18)7-11(9-17)8-14(16)19/h3-8,10H,9H2,1-2H3
InChIKeyFGDQBAXTBMPFPM-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.20
LogP ≤ 55.78
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

5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene
CID 107088431
[4-(2-butan-2-ylphenoxy)-3,5-difluorophenyl]methanol
CID 63078112
4-(chloromethyl)-2-fluoro-1-(2-propan-2-ylphenoxy)benzene
CID 28947258
1-(bromomethyl)-3-chloro-2-(2-propan-2-ylphenoxy)benzene
CID 114067986
[4-(4-bromo-2-propan-2-ylphenoxy)-3,5-difluorophenyl]methanol
CID 115402414
2,4-difluoro-1-(2-propan-2-ylphenoxy)benzene
CID 54486908
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
2-[5-fluoro-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 63803297
3-fluoro-2-(2-propan-2-ylphenoxy)benzoic acid
CID 62650459
CID 174063143
CID 174063143
2-[3-fluoro-5-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 106533374

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-1,3-difluoro-2-(2-propan-2-ylphenoxy)benzene?
The IUPAC name of 5-(bromomethyl)-1,3-difluoro-2-(2-propan-2-ylphenoxy)benzene (CID 107087316) is 5-(bromomethyl)-1,3-difluoro-2-(2-propan-2-ylphenoxy)benzene.
What is the SMILES notation for 5-(bromomethyl)-1,3-difluoro-2-(2-propan-2-ylphenoxy)benzene?
The canonical SMILES for 5-(bromomethyl)-1,3-difluoro-2-(2-propan-2-ylphenoxy)benzene is CC(C)c1ccccc1Oc1c(F)cc(CBr)cc1F.
What is the InChIKey of 5-(bromomethyl)-1,3-difluoro-2-(2-propan-2-ylphenoxy)benzene?
The InChIKey is FGDQBAXTBMPFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF2O/c1-10(2)12-5-3-4-6-15(12)20-16-13(18)7-11(9-17)8-14(16)19/h3-8,10H,9H2,1-2H3.
What are the key properties of 5-(bromomethyl)-1,3-difluoro-2-(2-propan-2-ylphenoxy)benzene?
5-(bromomethyl)-1,3-difluoro-2-(2-propan-2-ylphenoxy)benzene has a molecular weight of 341.20 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-1,3-difluoro-2-(2-propan-2-ylphenoxy)benzene is sourced from PubChem (CID 107087316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).