1-bromo-4-(3-chloropropyl)-2-(difluoromethoxy)benzene

C10H10BrClF2O — CID 134619284

IUPAC1-bromo-4-(3-chloropropyl)-2-(difluoromethoxy)benzene
SMILESFC(F)Oc1cc(CCCCl)ccc1Br
InChIInChI=1S/C10H10BrClF2O/c11-8-4-3-7(2-1-5-12)6-9(8)15-10(13)14/h3-4,6,10H,1-2,5H2
InChIKeyKBVXIFSHIMYMJU-UHFFFAOYSA-N
MW299.54 g/mol
LogP4.22
Rot. Bonds5

About 1-bromo-4-(3-chloropropyl)-2-(difluoromethoxy)benzene

1-bromo-4-(3-chloropropyl)-2-(difluoromethoxy)benzene (PubChem CID 134619284) has the molecular formula C10H10BrClF2O and a molecular weight of 299.54 g/mol. Its IUPAC name is 1-bromo-4-(3-chloropropyl)-2-(difluoromethoxy)benzene.

Molecular Properties

Compound Name1-bromo-4-(3-chloropropyl)-2-(difluoromethoxy)benzene
PubChem CID134619284
Molecular FormulaC10H10BrClF2O
Molecular Weight299.54 g/mol
Exact Mass297.96
IUPAC Name1-bromo-4-(3-chloropropyl)-2-(difluoromethoxy)benzene
SMILESFC(F)Oc1cc(CCCCl)ccc1Br
InChIInChI=1S/C10H10BrClF2O/c11-8-4-3-7(2-1-5-12)6-9(8)15-10(13)14/h3-4,6,10H,1-2,5H2
InChIKeyKBVXIFSHIMYMJU-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.54
LogP ≤ 54.22
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

4-(3-chloropropyl)-2-(difluoromethoxy)phenol
CID 118807022
2-bromo-1-(3-chloropropyl)-3-(difluoromethoxy)benzene
CID 119016478
1-bromo-2-(difluoromethoxy)-4-fluorobenzene
CID 45158711
2-bromo-4-(3-chloropropyl)-1-iodobenzene
CID 119011604
2-bromo-4-(3-chloropropyl)-1-methylbenzene
CID 53416639
3-bromo-1-[4-bromo-3-(difluoromethoxy)phenyl]propan-1-one
CID 134623107
1-bromo-4-(3-bromopropyl)-2-(trifluoromethoxy)benzene
CID 119025050
4-bromo-3-(difluoromethoxy)benzoic acid;ethane
CID 144822907
[4-bromo-3-(difluoromethoxy)phenyl]hydrazine
CID 130849725
4-bromo-3-(difluoromethoxy)benzaldehyde
CID 170359480
4-butyl-2-(difluoromethoxy)benzonitrile
CID 162613149
4-(3-chloropropyl)-2-(difluoromethyl)-1-methylbenzene
CID 134627557

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3-chloropropyl)-2-(difluoromethoxy)benzene?
The IUPAC name of 1-bromo-4-(3-chloropropyl)-2-(difluoromethoxy)benzene (CID 134619284) is 1-bromo-4-(3-chloropropyl)-2-(difluoromethoxy)benzene.
What is the SMILES notation for 1-bromo-4-(3-chloropropyl)-2-(difluoromethoxy)benzene?
The canonical SMILES for 1-bromo-4-(3-chloropropyl)-2-(difluoromethoxy)benzene is FC(F)Oc1cc(CCCCl)ccc1Br.
What is the InChIKey of 1-bromo-4-(3-chloropropyl)-2-(difluoromethoxy)benzene?
The InChIKey is KBVXIFSHIMYMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClF2O/c11-8-4-3-7(2-1-5-12)6-9(8)15-10(13)14/h3-4,6,10H,1-2,5H2.
What are the key properties of 1-bromo-4-(3-chloropropyl)-2-(difluoromethoxy)benzene?
1-bromo-4-(3-chloropropyl)-2-(difluoromethoxy)benzene has a molecular weight of 299.54 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3-chloropropyl)-2-(difluoromethoxy)benzene is sourced from PubChem (CID 134619284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).