2-bromo-1-cyclopropyloxy-4-(trifluoromethoxy)benzene

C10H8BrF3O2 — CID 22618198

IUPAC2-bromo-1-cyclopropyloxy-4-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccc(OC2CC2)c(Br)c1
InChIInChI=1S/C10H8BrF3O2/c11-8-5-7(16-10(12,13)14)3-4-9(8)15-6-1-2-6/h3-6H,1-2H2
InChIKeyHCHDWLMBUAOGCK-UHFFFAOYSA-N
MW297.07 g/mol
LogP3.89
Rot. Bonds3

About 2-bromo-1-cyclopropyloxy-4-(trifluoromethoxy)benzene

2-bromo-1-cyclopropyloxy-4-(trifluoromethoxy)benzene (PubChem CID 22618198) has the molecular formula C10H8BrF3O2 and a molecular weight of 297.07 g/mol. Its IUPAC name is 2-bromo-1-cyclopropyloxy-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-bromo-1-cyclopropyloxy-4-(trifluoromethoxy)benzene
PubChem CID22618198
Molecular FormulaC10H8BrF3O2
Molecular Weight297.07 g/mol
Exact Mass295.97
IUPAC Name2-bromo-1-cyclopropyloxy-4-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccc(OC2CC2)c(Br)c1
InChIInChI=1S/C10H8BrF3O2/c11-8-5-7(16-10(12,13)14)3-4-9(8)15-6-1-2-6/h3-6H,1-2H2
InChIKeyHCHDWLMBUAOGCK-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-cyclopropyloxy-4-(trifluoromethoxy)benzene?
The IUPAC name of 2-bromo-1-cyclopropyloxy-4-(trifluoromethoxy)benzene (CID 22618198) is 2-bromo-1-cyclopropyloxy-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-bromo-1-cyclopropyloxy-4-(trifluoromethoxy)benzene?
The canonical SMILES for 2-bromo-1-cyclopropyloxy-4-(trifluoromethoxy)benzene is FC(F)(F)Oc1ccc(OC2CC2)c(Br)c1.
What is the InChIKey of 2-bromo-1-cyclopropyloxy-4-(trifluoromethoxy)benzene?
The InChIKey is HCHDWLMBUAOGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3O2/c11-8-5-7(16-10(12,13)14)3-4-9(8)15-6-1-2-6/h3-6H,1-2H2.
What are the key properties of 2-bromo-1-cyclopropyloxy-4-(trifluoromethoxy)benzene?
2-bromo-1-cyclopropyloxy-4-(trifluoromethoxy)benzene has a molecular weight of 297.07 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-cyclopropyloxy-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 22618198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).