[4-bromo-3-(trifluoromethyl)phenyl]-(furan-2-yl)methanol

C12H8BrF3O2 — CID 115797407

IUPAC[4-bromo-3-(trifluoromethyl)phenyl]-(furan-2-yl)methanol
SMILESOC(c1ccc(Br)c(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C12H8BrF3O2/c13-9-4-3-7(6-8(9)12(14,15)16)11(17)10-2-1-5-18-10/h1-6,11,17H
InChIKeySSIPIAPGDRYLGS-UHFFFAOYSA-N
MW321.09 g/mol
LogP4.14
Rot. Bonds2

About [4-bromo-3-(trifluoromethyl)phenyl]-(furan-2-yl)methanol

[4-bromo-3-(trifluoromethyl)phenyl]-(furan-2-yl)methanol (PubChem CID 115797407) has the molecular formula C12H8BrF3O2 and a molecular weight of 321.09 g/mol. Its IUPAC name is [4-bromo-3-(trifluoromethyl)phenyl]-(furan-2-yl)methanol.

Molecular Properties

Compound Name[4-bromo-3-(trifluoromethyl)phenyl]-(furan-2-yl)methanol
PubChem CID115797407
Molecular FormulaC12H8BrF3O2
Molecular Weight321.09 g/mol
Exact Mass319.97
IUPAC Name[4-bromo-3-(trifluoromethyl)phenyl]-(furan-2-yl)methanol
SMILESOC(c1ccc(Br)c(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C12H8BrF3O2/c13-9-4-3-7(6-8(9)12(14,15)16)11(17)10-2-1-5-18-10/h1-6,11,17H
InChIKeySSIPIAPGDRYLGS-UHFFFAOYSA-N
XLogP4.14
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.09
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-chlorophenyl)-(furan-2-yl)methanol
CID 115797505
1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol
CID 115787663
(S)-(3-chloro-4-fluorophenyl)-(furan-2-yl)methanol
CID 95256736
(R)-(4-fluoro-3-methylphenyl)-(furan-2-yl)methanol
CID 94602014
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylprop-2-en-1-ol
CID 115817275
(4-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 81437311
[4-bromo-3-(trifluoromethyl)phenyl]-cyclopentylmethanol
CID 115840545
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-thiophen-2-ylpropan-1-ol
CID 115800331
(5-fluoro-3-pyridinyl)-(furan-2-yl)methanol
CID 62716120
(2,5-dibromo-4-methylphenyl)-(furan-2-yl)methanol
CID 81473673
N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 8919733
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)ethanol
CID 115789572

Frequently Asked Questions

What is the IUPAC name of [4-bromo-3-(trifluoromethyl)phenyl]-(furan-2-yl)methanol?
The IUPAC name of [4-bromo-3-(trifluoromethyl)phenyl]-(furan-2-yl)methanol (CID 115797407) is [4-bromo-3-(trifluoromethyl)phenyl]-(furan-2-yl)methanol.
What is the SMILES notation for [4-bromo-3-(trifluoromethyl)phenyl]-(furan-2-yl)methanol?
The canonical SMILES for [4-bromo-3-(trifluoromethyl)phenyl]-(furan-2-yl)methanol is OC(c1ccc(Br)c(C(F)(F)F)c1)c1ccco1.
What is the InChIKey of [4-bromo-3-(trifluoromethyl)phenyl]-(furan-2-yl)methanol?
The InChIKey is SSIPIAPGDRYLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3O2/c13-9-4-3-7(6-8(9)12(14,15)16)11(17)10-2-1-5-18-10/h1-6,11,17H.
What are the key properties of [4-bromo-3-(trifluoromethyl)phenyl]-(furan-2-yl)methanol?
[4-bromo-3-(trifluoromethyl)phenyl]-(furan-2-yl)methanol has a molecular weight of 321.09 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3-(trifluoromethyl)phenyl]-(furan-2-yl)methanol is sourced from PubChem (CID 115797407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).