1-bromo-2,4-difluoro-5-propoxybenzene

C9H9BrF2O — CID 125115840

IUPAC1-bromo-2,4-difluoro-5-propoxybenzene
SMILESCCCOc1cc(Br)c(F)cc1F
InChIInChI=1S/C9H9BrF2O/c1-2-3-13-9-4-6(10)7(11)5-8(9)12/h4-5H,2-3H2,1H3
InChIKeyASDLMIZOIBLOGB-UHFFFAOYSA-N
MW251.07 g/mol
LogP3.52
Rot. Bonds3

About 1-bromo-2,4-difluoro-5-propoxybenzene

1-bromo-2,4-difluoro-5-propoxybenzene (PubChem CID 125115840) has the molecular formula C9H9BrF2O and a molecular weight of 251.07 g/mol. Its IUPAC name is 1-bromo-2,4-difluoro-5-propoxybenzene.

Molecular Properties

Compound Name1-bromo-2,4-difluoro-5-propoxybenzene
PubChem CID125115840
Molecular FormulaC9H9BrF2O
Molecular Weight251.07 g/mol
Exact Mass249.98
IUPAC Name1-bromo-2,4-difluoro-5-propoxybenzene
SMILESCCCOc1cc(Br)c(F)cc1F
InChIInChI=1S/C9H9BrF2O/c1-2-3-13-9-4-6(10)7(11)5-8(9)12/h4-5H,2-3H2,1H3
InChIKeyASDLMIZOIBLOGB-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 53.52
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

1-bromo-2-chloro-5-fluoro-4-propoxybenzene
CID 163198209
4-bromo-2-fluoro-5-propoxyaniline
CID 13281431
(2,5-difluoro-4-propoxyphenyl)methanol
CID 164890870
1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene
CID 160948339
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
1-fluoro-4-methylsulfanyl-2-propoxybenzene
CID 91657322
5-bromo-4-fluoro-2-nonoxyaniline
CID 103482858
1-ethynyl-2,5-difluoro-4-propoxybenzene
CID 176587054
2-(4-bromophenyl)sulfanyl-5-fluoro-4-propoxyaniline
CID 63592470
2-(2-bromo-4-methylphenoxy)-5-fluoro-4-propoxyaniline
CID 63593727
4-(4-bromo-2,5-difluorophenoxy)butanenitrile
CID 91655399
1-bromo-2-fluoro-3-methylsulfanyl-4-propoxybenzene
CID 164893480

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,4-difluoro-5-propoxybenzene?
The IUPAC name of 1-bromo-2,4-difluoro-5-propoxybenzene (CID 125115840) is 1-bromo-2,4-difluoro-5-propoxybenzene.
What is the SMILES notation for 1-bromo-2,4-difluoro-5-propoxybenzene?
The canonical SMILES for 1-bromo-2,4-difluoro-5-propoxybenzene is CCCOc1cc(Br)c(F)cc1F.
What is the InChIKey of 1-bromo-2,4-difluoro-5-propoxybenzene?
The InChIKey is ASDLMIZOIBLOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2O/c1-2-3-13-9-4-6(10)7(11)5-8(9)12/h4-5H,2-3H2,1H3.
What are the key properties of 1-bromo-2,4-difluoro-5-propoxybenzene?
1-bromo-2,4-difluoro-5-propoxybenzene has a molecular weight of 251.07 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,4-difluoro-5-propoxybenzene is sourced from PubChem (CID 125115840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).