2-bromo-4-cyclopropyl-1,3-difluoro-5-methoxybenzene

C10H9BrF2O — CID 174593869

IUPAC2-bromo-4-cyclopropyl-1,3-difluoro-5-methoxybenzene
SMILESCOc1cc(F)c(Br)c(F)c1C1CC1
InChIInChI=1S/C10H9BrF2O/c1-14-7-4-6(12)9(11)10(13)8(7)5-2-3-5/h4-5H,2-3H2,1H3
InChIKeyRCMZPMGSCALRAI-UHFFFAOYSA-N
MW263.08 g/mol
LogP3.61
Rot. Bonds2

About 2-bromo-4-cyclopropyl-1,3-difluoro-5-methoxybenzene

2-bromo-4-cyclopropyl-1,3-difluoro-5-methoxybenzene (PubChem CID 174593869) has the molecular formula C10H9BrF2O and a molecular weight of 263.08 g/mol. Its IUPAC name is 2-bromo-4-cyclopropyl-1,3-difluoro-5-methoxybenzene.

Molecular Properties

Compound Name2-bromo-4-cyclopropyl-1,3-difluoro-5-methoxybenzene
PubChem CID174593869
Molecular FormulaC10H9BrF2O
Molecular Weight263.08 g/mol
Exact Mass261.98
IUPAC Name2-bromo-4-cyclopropyl-1,3-difluoro-5-methoxybenzene
SMILESCOc1cc(F)c(Br)c(F)c1C1CC1
InChIInChI=1S/C10H9BrF2O/c1-14-7-4-6(12)9(11)10(13)8(7)5-2-3-5/h4-5H,2-3H2,1H3
InChIKeyRCMZPMGSCALRAI-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-cyclopropyl-1,3-difluoro-5-methoxybenzene?
The IUPAC name of 2-bromo-4-cyclopropyl-1,3-difluoro-5-methoxybenzene (CID 174593869) is 2-bromo-4-cyclopropyl-1,3-difluoro-5-methoxybenzene.
What is the SMILES notation for 2-bromo-4-cyclopropyl-1,3-difluoro-5-methoxybenzene?
The canonical SMILES for 2-bromo-4-cyclopropyl-1,3-difluoro-5-methoxybenzene is COc1cc(F)c(Br)c(F)c1C1CC1.
What is the InChIKey of 2-bromo-4-cyclopropyl-1,3-difluoro-5-methoxybenzene?
The InChIKey is RCMZPMGSCALRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O/c1-14-7-4-6(12)9(11)10(13)8(7)5-2-3-5/h4-5H,2-3H2,1H3.
What are the key properties of 2-bromo-4-cyclopropyl-1,3-difluoro-5-methoxybenzene?
2-bromo-4-cyclopropyl-1,3-difluoro-5-methoxybenzene has a molecular weight of 263.08 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-cyclopropyl-1,3-difluoro-5-methoxybenzene is sourced from PubChem (CID 174593869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).