1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylprop-2-en-1-ol

C11H10BrF3O — CID 115817275

IUPAC1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H10BrF3O/c1-6(2)10(16)7-3-4-9(12)8(5-7)11(13,14)15/h3-5,10,16H,1H2,2H3
InChIKeyNBIVNRCYACQARP-UHFFFAOYSA-N
MW295.10 g/mol
LogP4.08
Rot. Bonds2

About 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylprop-2-en-1-ol

1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylprop-2-en-1-ol (PubChem CID 115817275) has the molecular formula C11H10BrF3O and a molecular weight of 295.10 g/mol. Its IUPAC name is 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylprop-2-en-1-ol
PubChem CID115817275
Molecular FormulaC11H10BrF3O
Molecular Weight295.10 g/mol
Exact Mass293.99
IUPAC Name1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H10BrF3O/c1-6(2)10(16)7-3-4-9(12)8(5-7)11(13,14)15/h3-5,10,16H,1H2,2H3
InChIKeyNBIVNRCYACQARP-UHFFFAOYSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.10
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol
CID 115787663
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-amine
CID 105004541
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-methyl-3-methylidenepentan-1-amine
CID 105006170
1-(3-bromo-4-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79190451
[4-bromo-3-(trifluoromethyl)phenyl]-cyclopentylmethanol
CID 115840545
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethyl-3-methylidenepentan-1-amine
CID 105006031
[4-bromo-3-(trifluoromethyl)phenyl]-(furan-2-yl)methanol
CID 115797407
1-[4-bromo-3-(trifluoromethyl)phenyl]butan-1-amine
CID 114982015
2-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-ol
CID 107104976
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylethanamine
CID 115781012
[4-bromo-3-(trifluoromethyl)phenyl]-(2-ethylcyclohexyl)methanol
CID 115801665
6-(1-hydroxy-2-methylprop-2-enyl)naphthalen-2-ol
CID 167237943

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylprop-2-en-1-ol?
The IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylprop-2-en-1-ol (CID 115817275) is 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylprop-2-en-1-ol.
What is the SMILES notation for 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylprop-2-en-1-ol?
The canonical SMILES for 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylprop-2-en-1-ol is C=C(C)C(O)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylprop-2-en-1-ol?
The InChIKey is NBIVNRCYACQARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3O/c1-6(2)10(16)7-3-4-9(12)8(5-7)11(13,14)15/h3-5,10,16H,1H2,2H3.
What are the key properties of 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylprop-2-en-1-ol?
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylprop-2-en-1-ol has a molecular weight of 295.10 g/mol, XLogP of 4.08, 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]-2-methylprop-2-en-1-ol is sourced from PubChem (CID 115817275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).