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

C16H14BrF3O — CID 62608406

IUPAC1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESOC(Cc1ccc(C(F)(F)F)cc1)Cc1cccc(Br)c1
InChIInChI=1S/C16H14BrF3O/c17-14-3-1-2-12(8-14)10-15(21)9-11-4-6-13(7-5-11)16(18,19)20/h1-8,15,21H,9-10H2
InChIKeyGBTULYWGWCVGFS-UHFFFAOYSA-N
MW359.19 g/mol
LogP4.61
Rot. Bonds4

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

1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 62608406) has the molecular formula C16H14BrF3O and a molecular weight of 359.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID62608406
Molecular FormulaC16H14BrF3O
Molecular Weight359.19 g/mol
Exact Mass358.02
IUPAC Name1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESOC(Cc1ccc(C(F)(F)F)cc1)Cc1cccc(Br)c1
InChIInChI=1S/C16H14BrF3O/c17-14-3-1-2-12(8-14)10-15(21)9-11-4-6-13(7-5-11)16(18,19)20/h1-8,15,21H,9-10H2
InChIKeyGBTULYWGWCVGFS-UHFFFAOYSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.19
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 104800255
1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 62607876
N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60700066
1-(3-bromophenyl)-4,4-dimethylpentan-2-ol
CID 63015862
5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 79953429
1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene
CID 172602830
(2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 58689696
1-(3-bromophenyl)-4-ethylhexan-2-ol
CID 82919634
1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 115788878
1-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 115823932
1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62606366
1-(3-bromophenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 60798840

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol (CID 62608406) is 1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol is OC(Cc1ccc(C(F)(F)F)cc1)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is GBTULYWGWCVGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF3O/c17-14-3-1-2-12(8-14)10-15(21)9-11-4-6-13(7-5-11)16(18,19)20/h1-8,15,21H,9-10H2.
What are the key properties of 1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 359.19 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 62608406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).