2-[3-bromo-4-(trifluoromethoxy)phenoxy]cyclohexan-1-ol

C13H14BrF3O3 — CID 102714916

IUPAC2-[3-bromo-4-(trifluoromethoxy)phenoxy]cyclohexan-1-ol
SMILESOC1CCCCC1Oc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C13H14BrF3O3/c14-9-7-8(5-6-11(9)20-13(15,16)17)19-12-4-2-1-3-10(12)18/h5-7,10,12,18H,1-4H2
InChIKeyDVHUUWUJGQHLGO-UHFFFAOYSA-N
MW355.15 g/mol
LogP4.03
Rot. Bonds3

About 2-[3-bromo-4-(trifluoromethoxy)phenoxy]cyclohexan-1-ol

2-[3-bromo-4-(trifluoromethoxy)phenoxy]cyclohexan-1-ol (PubChem CID 102714916) has the molecular formula C13H14BrF3O3 and a molecular weight of 355.15 g/mol. Its IUPAC name is 2-[3-bromo-4-(trifluoromethoxy)phenoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[3-bromo-4-(trifluoromethoxy)phenoxy]cyclohexan-1-ol
PubChem CID102714916
Molecular FormulaC13H14BrF3O3
Molecular Weight355.15 g/mol
Exact Mass354.01
IUPAC Name2-[3-bromo-4-(trifluoromethoxy)phenoxy]cyclohexan-1-ol
SMILESOC1CCCCC1Oc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C13H14BrF3O3/c14-9-7-8(5-6-11(9)20-13(15,16)17)19-12-4-2-1-3-10(12)18/h5-7,10,12,18H,1-4H2
InChIKeyDVHUUWUJGQHLGO-UHFFFAOYSA-N
XLogP4.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.15
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-(trifluoromethoxy)phenoxy]cyclohexan-1-ol?
The IUPAC name of 2-[3-bromo-4-(trifluoromethoxy)phenoxy]cyclohexan-1-ol (CID 102714916) is 2-[3-bromo-4-(trifluoromethoxy)phenoxy]cyclohexan-1-ol.
What is the SMILES notation for 2-[3-bromo-4-(trifluoromethoxy)phenoxy]cyclohexan-1-ol?
The canonical SMILES for 2-[3-bromo-4-(trifluoromethoxy)phenoxy]cyclohexan-1-ol is OC1CCCCC1Oc1ccc(OC(F)(F)F)c(Br)c1.
What is the InChIKey of 2-[3-bromo-4-(trifluoromethoxy)phenoxy]cyclohexan-1-ol?
The InChIKey is DVHUUWUJGQHLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF3O3/c14-9-7-8(5-6-11(9)20-13(15,16)17)19-12-4-2-1-3-10(12)18/h5-7,10,12,18H,1-4H2.
What are the key properties of 2-[3-bromo-4-(trifluoromethoxy)phenoxy]cyclohexan-1-ol?
2-[3-bromo-4-(trifluoromethoxy)phenoxy]cyclohexan-1-ol has a molecular weight of 355.15 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-4-(trifluoromethoxy)phenoxy]cyclohexan-1-ol is sourced from PubChem (CID 102714916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).