5-(3-bromopropyl)-2-(difluoromethoxy)-1,3-difluorobenzene

C10H9BrF4O — CID 22913855

IUPAC5-(3-bromopropyl)-2-(difluoromethoxy)-1,3-difluorobenzene
SMILESFc1cc(CCCBr)cc(F)c1OC(F)F
InChIInChI=1S/C10H9BrF4O/c11-3-1-2-6-4-7(12)9(8(13)5-6)16-10(14)15/h4-5,10H,1-3H2
InChIKeyWUDOPAARDCKXEB-UHFFFAOYSA-N
MW301.08 g/mol
LogP3.89
Rot. Bonds5

About 5-(3-bromopropyl)-2-(difluoromethoxy)-1,3-difluorobenzene

5-(3-bromopropyl)-2-(difluoromethoxy)-1,3-difluorobenzene (PubChem CID 22913855) has the molecular formula C10H9BrF4O and a molecular weight of 301.08 g/mol. Its IUPAC name is 5-(3-bromopropyl)-2-(difluoromethoxy)-1,3-difluorobenzene.

Molecular Properties

Compound Name5-(3-bromopropyl)-2-(difluoromethoxy)-1,3-difluorobenzene
PubChem CID22913855
Molecular FormulaC10H9BrF4O
Molecular Weight301.08 g/mol
Exact Mass299.98
IUPAC Name5-(3-bromopropyl)-2-(difluoromethoxy)-1,3-difluorobenzene
SMILESFc1cc(CCCBr)cc(F)c1OC(F)F
InChIInChI=1S/C10H9BrF4O/c11-3-1-2-6-4-7(12)9(8(13)5-6)16-10(14)15/h4-5,10H,1-3H2
InChIKeyWUDOPAARDCKXEB-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.08
LogP ≤ 53.89
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

2-(difluoromethoxy)-5-[2-[4-[2-(2,6-difluoro-4-propylphenyl)ethyl]-2,6-difluorophenyl]ethyl]-1,3-difluorobenzene
CID 139758517
2-[4-(difluoromethoxy)-3,5-difluorophenyl]acetonitrile
CID 18627186
1-(3-bromopropyl)-3-(difluoromethoxy)-5-ethoxybenzene
CID 118802011
1-(3-bromopropyl)-3,5-difluorobenzene
CID 53433983
methyl 3-(3-bromopropyl)-5-(difluoromethoxy)benzoate
CID 134649375
2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene
CID 22886894
4-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]butyl]-1-iodo-1-propylsilinane
CID 67744713
2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-oct-4-enylcyclohexyl)ethyl]benzene
CID 54571608
2-(difluoromethoxy)-6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoronaphthalene
CID 139855620
5-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]butyl]-2-pentyl-3,4-dihydro-2H-pyran
CID 118358995
1-chloro-4-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]butyl]-1-phenylsilinane
CID 22913882
2,3-dibromo-4-(difluoromethoxy)-1,5-difluorobenzene
CID 118835990

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromopropyl)-2-(difluoromethoxy)-1,3-difluorobenzene?
The IUPAC name of 5-(3-bromopropyl)-2-(difluoromethoxy)-1,3-difluorobenzene (CID 22913855) is 5-(3-bromopropyl)-2-(difluoromethoxy)-1,3-difluorobenzene.
What is the SMILES notation for 5-(3-bromopropyl)-2-(difluoromethoxy)-1,3-difluorobenzene?
The canonical SMILES for 5-(3-bromopropyl)-2-(difluoromethoxy)-1,3-difluorobenzene is Fc1cc(CCCBr)cc(F)c1OC(F)F.
What is the InChIKey of 5-(3-bromopropyl)-2-(difluoromethoxy)-1,3-difluorobenzene?
The InChIKey is WUDOPAARDCKXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF4O/c11-3-1-2-6-4-7(12)9(8(13)5-6)16-10(14)15/h4-5,10H,1-3H2.
What are the key properties of 5-(3-bromopropyl)-2-(difluoromethoxy)-1,3-difluorobenzene?
5-(3-bromopropyl)-2-(difluoromethoxy)-1,3-difluorobenzene has a molecular weight of 301.08 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromopropyl)-2-(difluoromethoxy)-1,3-difluorobenzene is sourced from PubChem (CID 22913855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).