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

C10H10BrF3O3 — CID 102674553

IUPAC3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol
SMILESOCCCOc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C10H10BrF3O3/c11-8-6-7(16-5-1-4-15)2-3-9(8)17-10(12,13)14/h2-3,6,15H,1,4-5H2
InChIKeyBOAWHNVHKPOOOC-UHFFFAOYSA-N
MW315.09 g/mol
LogP3.11
Rot. Bonds5

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

3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol (PubChem CID 102674553) has the molecular formula C10H10BrF3O3 and a molecular weight of 315.09 g/mol. Its IUPAC name is 3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol
PubChem CID102674553
Molecular FormulaC10H10BrF3O3
Molecular Weight315.09 g/mol
Exact Mass313.98
IUPAC Name3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol
SMILESOCCCOc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C10H10BrF3O3/c11-8-6-7(16-5-1-4-15)2-3-9(8)17-10(12,13)14/h2-3,6,15H,1,4-5H2
InChIKeyBOAWHNVHKPOOOC-UHFFFAOYSA-N
XLogP3.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.09
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol
CID 102674568
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
2-bromo-1-(3-bromopropoxy)-4-(trifluoromethoxy)benzene
CID 171115636
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
5-[3-bromo-4-(trifluoromethoxy)anilino]pentan-1-ol
CID 107336208
4-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethoxybutan-1-amine
CID 102714329

Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol?
The IUPAC name of 3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol (CID 102674553) is 3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol.
What is the SMILES notation for 3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol?
The canonical SMILES for 3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol is OCCCOc1ccc(OC(F)(F)F)c(Br)c1.
What is the InChIKey of 3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol?
The InChIKey is BOAWHNVHKPOOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3O3/c11-8-6-7(16-5-1-4-15)2-3-9(8)17-10(12,13)14/h2-3,6,15H,1,4-5H2.
What are the key properties of 3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol?
3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol has a molecular weight of 315.09 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol is sourced from PubChem (CID 102674553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).