3-[3-bromo-5-(trifluoromethoxy)phenyl]prop-2-en-1-ol

C10H8BrF3O2 — CID 169454398

IUPAC3-[3-bromo-5-(trifluoromethoxy)phenyl]prop-2-en-1-ol
SMILESOCC=Cc1cc(Br)cc(OC(F)(F)F)c1
InChIInChI=1S/C10H8BrF3O2/c11-8-4-7(2-1-3-15)5-9(6-8)16-10(12,13)14/h1-2,4-6,15H,3H2
InChIKeyGDDDGGFCCPSAJZ-UHFFFAOYSA-N
MW297.07 g/mol
LogP3.35
Rot. Bonds3

About 3-[3-bromo-5-(trifluoromethoxy)phenyl]prop-2-en-1-ol

3-[3-bromo-5-(trifluoromethoxy)phenyl]prop-2-en-1-ol (PubChem CID 169454398) has the molecular formula C10H8BrF3O2 and a molecular weight of 297.07 g/mol. Its IUPAC name is 3-[3-bromo-5-(trifluoromethoxy)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name3-[3-bromo-5-(trifluoromethoxy)phenyl]prop-2-en-1-ol
PubChem CID169454398
Molecular FormulaC10H8BrF3O2
Molecular Weight297.07 g/mol
Exact Mass295.97
IUPAC Name3-[3-bromo-5-(trifluoromethoxy)phenyl]prop-2-en-1-ol
SMILESOCC=Cc1cc(Br)cc(OC(F)(F)F)c1
InChIInChI=1S/C10H8BrF3O2/c11-8-4-7(2-1-3-15)5-9(6-8)16-10(12,13)14/h1-2,4-6,15H,3H2
InChIKeyGDDDGGFCCPSAJZ-UHFFFAOYSA-N
XLogP3.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-5-(trifluoromethoxy)phenyl]prop-2-en-1-ol?
The IUPAC name of 3-[3-bromo-5-(trifluoromethoxy)phenyl]prop-2-en-1-ol (CID 169454398) is 3-[3-bromo-5-(trifluoromethoxy)phenyl]prop-2-en-1-ol.
What is the SMILES notation for 3-[3-bromo-5-(trifluoromethoxy)phenyl]prop-2-en-1-ol?
The canonical SMILES for 3-[3-bromo-5-(trifluoromethoxy)phenyl]prop-2-en-1-ol is OCC=Cc1cc(Br)cc(OC(F)(F)F)c1.
What is the InChIKey of 3-[3-bromo-5-(trifluoromethoxy)phenyl]prop-2-en-1-ol?
The InChIKey is GDDDGGFCCPSAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3O2/c11-8-4-7(2-1-3-15)5-9(6-8)16-10(12,13)14/h1-2,4-6,15H,3H2.
What are the key properties of 3-[3-bromo-5-(trifluoromethoxy)phenyl]prop-2-en-1-ol?
3-[3-bromo-5-(trifluoromethoxy)phenyl]prop-2-en-1-ol has a molecular weight of 297.07 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-5-(trifluoromethoxy)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 169454398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).