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

C10H10BrClF2O — CID 119016478

IUPAC2-bromo-1-(3-chloropropyl)-3-(difluoromethoxy)benzene
SMILESFC(F)Oc1cccc(CCCCl)c1Br
InChIInChI=1S/C10H10BrClF2O/c11-9-7(4-2-6-12)3-1-5-8(9)15-10(13)14/h1,3,5,10H,2,4,6H2
InChIKeyDZYQPZNZTJQUSD-UHFFFAOYSA-N
MW299.54 g/mol
LogP4.22
Rot. Bonds5

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

2-bromo-1-(3-chloropropyl)-3-(difluoromethoxy)benzene (PubChem CID 119016478) has the molecular formula C10H10BrClF2O and a molecular weight of 299.54 g/mol. Its IUPAC name is 2-bromo-1-(3-chloropropyl)-3-(difluoromethoxy)benzene.

Molecular Properties

Compound Name2-bromo-1-(3-chloropropyl)-3-(difluoromethoxy)benzene
PubChem CID119016478
Molecular FormulaC10H10BrClF2O
Molecular Weight299.54 g/mol
Exact Mass297.96
IUPAC Name2-bromo-1-(3-chloropropyl)-3-(difluoromethoxy)benzene
SMILESFC(F)Oc1cccc(CCCCl)c1Br
InChIInChI=1S/C10H10BrClF2O/c11-9-7(4-2-6-12)3-1-5-8(9)15-10(13)14/h1,3,5,10H,2,4,6H2
InChIKeyDZYQPZNZTJQUSD-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

3-[2-bromo-3-(difluoromethoxy)phenyl]propanal
CID 134621335
2-bromo-1-(3-chloropropyl)-3-(difluoromethyl)benzene
CID 119018255
1-chloro-3-(3-chloropropyl)-2-(difluoromethoxy)benzene
CID 118802304
1-chloro-2-(3-chloropropyl)-3-(difluoromethoxy)benzene
CID 118836110
1-bromo-4-(3-chloropropyl)-2-(difluoromethoxy)benzene
CID 134619284
2-bromo-1-(3-chloropropyl)-3-iodobenzene
CID 118990354
2-(3-chloropropyl)-1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 118819842
2-bromo-1-(chloromethyl)-3-propan-2-yloxybenzene
CID 126987688
1-(3-bromopropyl)-3-(difluoromethoxy)-2-methoxybenzene
CID 118842066
4-[2-(difluoromethoxy)phenyl]butan-1-amine
CID 117306539
4-(3-chloropropyl)-2-(difluoromethoxy)phenol
CID 118807022
[2-bromo-3-(difluoromethoxy)phenyl]hydrazine
CID 118818799

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-chloropropyl)-3-(difluoromethoxy)benzene?
The IUPAC name of 2-bromo-1-(3-chloropropyl)-3-(difluoromethoxy)benzene (CID 119016478) is 2-bromo-1-(3-chloropropyl)-3-(difluoromethoxy)benzene.
What is the SMILES notation for 2-bromo-1-(3-chloropropyl)-3-(difluoromethoxy)benzene?
The canonical SMILES for 2-bromo-1-(3-chloropropyl)-3-(difluoromethoxy)benzene is FC(F)Oc1cccc(CCCCl)c1Br.
What is the InChIKey of 2-bromo-1-(3-chloropropyl)-3-(difluoromethoxy)benzene?
The InChIKey is DZYQPZNZTJQUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClF2O/c11-9-7(4-2-6-12)3-1-5-8(9)15-10(13)14/h1,3,5,10H,2,4,6H2.
What are the key properties of 2-bromo-1-(3-chloropropyl)-3-(difluoromethoxy)benzene?
2-bromo-1-(3-chloropropyl)-3-(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 2-bromo-1-(3-chloropropyl)-3-(difluoromethoxy)benzene is sourced from PubChem (CID 119016478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).