1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol

C10H10BrF3O — CID 115787663

IUPAC1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCCC(O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C10H10BrF3O/c1-2-9(15)6-3-4-8(11)7(5-6)10(12,13)14/h3-5,9,15H,2H2,1H3
InChIKeyAYEVFAPFEIYPTP-UHFFFAOYSA-N
MW283.09 g/mol
LogP3.91
Rot. Bonds2

About 1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol

1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 115787663) has the molecular formula C10H10BrF3O and a molecular weight of 283.09 g/mol. Its IUPAC name is 1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID115787663
Molecular FormulaC10H10BrF3O
Molecular Weight283.09 g/mol
Exact Mass281.99
IUPAC Name1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCCC(O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C10H10BrF3O/c1-2-9(15)6-3-4-8(11)7(5-6)10(12,13)14/h3-5,9,15H,2H2,1H3
InChIKeyAYEVFAPFEIYPTP-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylprop-2-en-1-ol
CID 115817275
1-[4-bromo-3-(trifluoromethyl)phenyl]-N,2-dimethylbutan-1-amine
CID 105017562
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylethanamine
CID 115781012
1-[4-bromo-3-(trifluoromethyl)phenyl]butan-1-amine
CID 114982015
2-(5-bromo-3-pyridinyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanol
CID 115833331
[4-bromo-3-(trifluoromethyl)phenyl]-cyclopentylmethanol
CID 115840545
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)ethanol
CID 115789572
[4-bromo-3-(trifluoromethyl)phenyl]-(2-ethylcyclohexyl)methanol
CID 115801665
[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine
CID 105325831
[4-bromo-3-(trifluoromethyl)phenyl]-(3-ethylcyclohexyl)methanol
CID 115808455
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-thiophen-2-ylpropan-1-ol
CID 115800331
1-[4-bromo-3-(trifluoromethyl)phenyl]heptan-1-amine
CID 115833310

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol (CID 115787663) is 1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol is CCC(O)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is AYEVFAPFEIYPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3O/c1-2-9(15)6-3-4-8(11)7(5-6)10(12,13)14/h3-5,9,15H,2H2,1H3.
What are the key properties of 1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol?
1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 283.09 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 115787663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).