2-[4-bromo-3-(trifluoromethyl)phenyl]propan-2-ol

C10H10BrF3O — CID 131433063

IUPAC2-[4-bromo-3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C10H10BrF3O/c1-9(2,15)6-3-4-8(11)7(5-6)10(12,13)14/h3-5,15H,1-2H3
InChIKeyRVUPKEQIESYGDE-UHFFFAOYSA-N
MW283.09 g/mol
LogP3.70
Rot. Bonds1

About 2-[4-bromo-3-(trifluoromethyl)phenyl]propan-2-ol

2-[4-bromo-3-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 131433063) has the molecular formula C10H10BrF3O and a molecular weight of 283.09 g/mol. Its IUPAC name is 2-[4-bromo-3-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-bromo-3-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID131433063
Molecular FormulaC10H10BrF3O
Molecular Weight283.09 g/mol
Exact Mass281.99
IUPAC Name2-[4-bromo-3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C10H10BrF3O/c1-9(2,15)6-3-4-8(11)7(5-6)10(12,13)14/h3-5,15H,1-2H3
InChIKeyRVUPKEQIESYGDE-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-tert-butyl-4-(trifluoromethyl)benzene
CID 145078321
1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)benzene
CID 154685385
1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane
CID 144882970
[4-bromo-3-(trifluoromethyl)phenyl]-oxosulfanium
CID 174512968
4-tert-butyl-2-(trifluoromethyl)phenol
CID 12652102
1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol
CID 115787663
1-bromo-4-prop-1-enyl-2-(trifluoromethyl)benzene
CID 141113367
2-(3-fluoro-4-sulfanylphenyl)propan-2-ol
CID 142522705
2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]propan-2-ol;2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 67743225
4-bromo-N-butyl-3-(trifluoromethyl)aniline
CID 43228567
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylprop-2-en-1-ol
CID 115817275
2-[2-bromo-5-(trifluoromethyl)phenyl]-2-ethylbutanenitrile
CID 118325014

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 2-[4-bromo-3-(trifluoromethyl)phenyl]propan-2-ol (CID 131433063) is 2-[4-bromo-3-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-bromo-3-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 2-[4-bromo-3-(trifluoromethyl)phenyl]propan-2-ol is CC(C)(O)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-bromo-3-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is RVUPKEQIESYGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3O/c1-9(2,15)6-3-4-8(11)7(5-6)10(12,13)14/h3-5,15H,1-2H3.
What are the key properties of 2-[4-bromo-3-(trifluoromethyl)phenyl]propan-2-ol?
2-[4-bromo-3-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 283.09 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 131433063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).