1-[4-bromo-3-(trifluoromethyl)phenyl]-3-thiophen-2-ylpropan-1-ol

C14H12BrF3OS — CID 115800331

IUPAC1-[4-bromo-3-(trifluoromethyl)phenyl]-3-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccs1)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C14H12BrF3OS/c15-12-5-3-9(8-11(12)14(16,17)18)13(19)6-4-10-2-1-7-20-10/h1-3,5,7-8,13,19H,4,6H2
InChIKeyQRUQXFGCVYQWDX-UHFFFAOYSA-N
MW365.21 g/mol
LogP5.20
Rot. Bonds4

About 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-thiophen-2-ylpropan-1-ol

1-[4-bromo-3-(trifluoromethyl)phenyl]-3-thiophen-2-ylpropan-1-ol (PubChem CID 115800331) has the molecular formula C14H12BrF3OS and a molecular weight of 365.21 g/mol. Its IUPAC name is 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-[4-bromo-3-(trifluoromethyl)phenyl]-3-thiophen-2-ylpropan-1-ol
PubChem CID115800331
Molecular FormulaC14H12BrF3OS
Molecular Weight365.21 g/mol
Exact Mass363.97
IUPAC Name1-[4-bromo-3-(trifluoromethyl)phenyl]-3-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccs1)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C14H12BrF3OS/c15-12-5-3-9(8-11(12)14(16,17)18)13(19)6-4-10-2-1-7-20-10/h1-3,5,7-8,13,19H,4,6H2
InChIKeyQRUQXFGCVYQWDX-UHFFFAOYSA-N
XLogP5.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.21
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
CID 63773688
1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
CID 65149932
1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-ol
CID 115800352
1-(3-propoxyphenyl)-3-thiophen-2-ylpropan-1-ol
CID 65146129
1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
CID 115800366
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)ethanol
CID 115789572
1-(5-methyl-3-pyridinyl)-3-thiophen-2-ylpropan-1-ol
CID 105099292
2-(5-bromo-3-pyridinyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanol
CID 115833331
[4-bromo-3-(trifluoromethyl)phenyl]-cyclopentylmethanol
CID 115840545
1-(4-bromophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486833
[1-(6-bromonaphthalen-2-yl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308962
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylprop-2-en-1-ol
CID 115817275

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-thiophen-2-ylpropan-1-ol (CID 115800331) is 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-thiophen-2-ylpropan-1-ol is OC(CCc1cccs1)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-thiophen-2-ylpropan-1-ol?
The InChIKey is QRUQXFGCVYQWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3OS/c15-12-5-3-9(8-11(12)14(16,17)18)13(19)6-4-10-2-1-7-20-10/h1-3,5,7-8,13,19H,4,6H2.
What are the key properties of 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-thiophen-2-ylpropan-1-ol?
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-thiophen-2-ylpropan-1-ol has a molecular weight of 365.21 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 115800331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).