2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol

C16H14BrF3O — CID 65145339

IUPAC2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(O)(Cc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrF3O/c1-15(21,12-5-7-14(17)8-6-12)10-11-3-2-4-13(9-11)16(18,19)20/h2-9,21H,10H2,1H3
InChIKeyPFZHJNFPLKFLRD-UHFFFAOYSA-N
MW359.19 g/mol
LogP4.92
Rot. Bonds3

About 2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol

2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 65145339) has the molecular formula C16H14BrF3O and a molecular weight of 359.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID65145339
Molecular FormulaC16H14BrF3O
Molecular Weight359.19 g/mol
Exact Mass358.02
IUPAC Name2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(O)(Cc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrF3O/c1-15(21,12-5-7-14(17)8-6-12)10-11-3-2-4-13(9-11)16(18,19)20/h2-9,21H,10H2,1H3
InChIKeyPFZHJNFPLKFLRD-UHFFFAOYSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.19
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 65145345
2-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 65145336
(2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 146163800
2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol
CID 63406671
1,2-bis[3,5-bis(trifluoromethyl)phenyl]propan-2-ol
CID 172768218
2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 65146789
1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene
CID 172602830
2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol
CID 117310696
2-(2-thiophen-2-ylthiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 58568106
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-1-ol
CID 66025237
2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol
CID 65146705
2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol
CID 102751228

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol (CID 65145339) is 2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol is CC(O)(Cc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is PFZHJNFPLKFLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF3O/c1-15(21,12-5-7-14(17)8-6-12)10-11-3-2-4-13(9-11)16(18,19)20/h2-9,21H,10H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 359.19 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 65145339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).