2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol

C9H8BrF3O3 — CID 102674568

IUPAC2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol
SMILESOCCOc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C9H8BrF3O3/c10-7-5-6(15-4-3-14)1-2-8(7)16-9(11,12)13/h1-2,5,14H,3-4H2
InChIKeyVZQGZBJECKLITN-UHFFFAOYSA-N
MW301.06 g/mol
LogP2.72
Rot. Bonds4

About 2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol

2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol (PubChem CID 102674568) has the molecular formula C9H8BrF3O3 and a molecular weight of 301.06 g/mol. Its IUPAC name is 2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol
PubChem CID102674568
Molecular FormulaC9H8BrF3O3
Molecular Weight301.06 g/mol
Exact Mass299.96
IUPAC Name2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol
SMILESOCCOc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C9H8BrF3O3/c10-7-5-6(15-4-3-14)1-2-8(7)16-9(11,12)13/h1-2,5,14H,3-4H2
InChIKeyVZQGZBJECKLITN-UHFFFAOYSA-N
XLogP2.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.06
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol
CID 102674553
4-[3-bromo-4-(trifluoromethoxy)phenoxy]butanoic acid
CID 102714204
2-bromo-4-heptoxy-1-(trifluoromethoxy)benzene
CID 102714644
2-bromo-4-(2-butoxyethoxy)-1-(trifluoromethoxy)benzene
CID 102714755
2-bromo-4-hept-6-enoxy-1-(trifluoromethoxy)benzene
CID 107007309
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-(2-hydroxyethyl)acetamide
CID 102714921
N-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]cyclopentanamine
CID 102715022
1-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]pyrazole
CID 102674559
N-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]-3-methylbutan-1-amine
CID 102715012
4-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethoxybutan-1-amine
CID 102714329
2-bromo-1-(3-bromopropoxy)-4-(trifluoromethoxy)benzene
CID 171115636
3-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 102714818

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol?
The IUPAC name of 2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol (CID 102674568) is 2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol.
What is the SMILES notation for 2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol?
The canonical SMILES for 2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol is OCCOc1ccc(OC(F)(F)F)c(Br)c1.
What is the InChIKey of 2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol?
The InChIKey is VZQGZBJECKLITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3O3/c10-7-5-6(15-4-3-14)1-2-8(7)16-9(11,12)13/h1-2,5,14H,3-4H2.
What are the key properties of 2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol?
2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol has a molecular weight of 301.06 g/mol, XLogP of 2.72, 4 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]ethanol is sourced from PubChem (CID 102674568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).