1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol

C12H11F3O2 — CID 64566757

IUPAC1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol
SMILESOC(CCC(F)(F)F)c1cc2ccccc2o1
InChIInChI=1S/C12H11F3O2/c13-12(14,15)6-5-9(16)11-7-8-3-1-2-4-10(8)17-11/h1-4,7,9,16H,5-6H2
InChIKeyBGDTVAITUHRPHD-UHFFFAOYSA-N
MW244.21 g/mol
LogP3.81
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol

1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol (PubChem CID 64566757) has the molecular formula C12H11F3O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol
PubChem CID64566757
Molecular FormulaC12H11F3O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol
SMILESOC(CCC(F)(F)F)c1cc2ccccc2o1
InChIInChI=1S/C12H11F3O2/c13-12(14,15)6-5-9(16)11-7-8-3-1-2-4-10(8)17-11/h1-4,7,9,16H,5-6H2
InChIKeyBGDTVAITUHRPHD-UHFFFAOYSA-N
XLogP3.81
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol
CID 124681415
1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894
5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol
CID 105120593
1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol
CID 71150503
1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 65447175
1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol
CID 63017494
1-(1-benzofuran-2-yl)-2-(4-iodophenyl)ethanol
CID 65477865
1-(1-benzofuran-2-yl)-3,5,5-trimethylhexan-1-ol
CID 115836093
[(1R)-1-(1-benzofuran-2-yl)-2-hydroxyethyl]azanium
CID 140776559
1-(1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017903
1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol
CID 114723712
1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 66372336

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol (CID 64566757) is 1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol is OC(CCC(F)(F)F)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is BGDTVAITUHRPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O2/c13-12(14,15)6-5-9(16)11-7-8-3-1-2-4-10(8)17-11/h1-4,7,9,16H,5-6H2.
What are the key properties of 1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol?
1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 244.21 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 64566757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).