1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxybenzene

C10H8BrF3O — CID 138980336

IUPAC1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxybenzene
SMILESFC(F)(F)[C@@H]1C[C@H]1Oc1ccc(Br)cc1
InChIInChI=1S/C10H8BrF3O/c11-6-1-3-7(4-2-6)15-9-5-8(9)10(12,13)14/h1-4,8-9H,5H2/t8-,9-/m1/s1
InChIKeyRKLJYHIFYPXYNH-RKDXNWHRSA-N
MW281.07 g/mol
LogP3.78
Rot. Bonds2

About 1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxybenzene

1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxybenzene (PubChem CID 138980336) has the molecular formula C10H8BrF3O and a molecular weight of 281.07 g/mol. Its IUPAC name is 1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxybenzene.

Molecular Properties

Compound Name1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxybenzene
PubChem CID138980336
Molecular FormulaC10H8BrF3O
Molecular Weight281.07 g/mol
Exact Mass279.97
IUPAC Name1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxybenzene
SMILESFC(F)(F)[C@@H]1C[C@H]1Oc1ccc(Br)cc1
InChIInChI=1S/C10H8BrF3O/c11-6-1-3-7(4-2-6)15-9-5-8(9)10(12,13)14/h1-4,8-9H,5H2/t8-,9-/m1/s1
InChIKeyRKLJYHIFYPXYNH-RKDXNWHRSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.07
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxybenzene?
The IUPAC name of 1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxybenzene (CID 138980336) is 1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxybenzene.
What is the SMILES notation for 1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxybenzene?
The canonical SMILES for 1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxybenzene is FC(F)(F)[C@@H]1C[C@H]1Oc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxybenzene?
The InChIKey is RKLJYHIFYPXYNH-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H8BrF3O/c11-6-1-3-7(4-2-6)15-9-5-8(9)10(12,13)14/h1-4,8-9H,5H2/t8-,9-/m1/s1.
What are the key properties of 1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxybenzene?
1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxybenzene has a molecular weight of 281.07 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxybenzene is sourced from PubChem (CID 138980336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).