5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol

C14H15F3O2 — CID 105120593

IUPAC5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol
SMILESCc1ccc2oc(C(O)CCCC(F)(F)F)cc2c1
InChIInChI=1S/C14H15F3O2/c1-9-4-5-12-10(7-9)8-13(19-12)11(18)3-2-6-14(15,16)17/h4-5,7-8,11,18H,2-3,6H2,1H3
InChIKeyWLWJPOZIJGWGQV-UHFFFAOYSA-N
MW272.27 g/mol
LogP4.51
Rot. Bonds4

About 5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol

5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol (PubChem CID 105120593) has the molecular formula C14H15F3O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol
PubChem CID105120593
Molecular FormulaC14H15F3O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol
SMILESCc1ccc2oc(C(O)CCCC(F)(F)F)cc2c1
InChIInChI=1S/C14H15F3O2/c1-9-4-5-12-10(7-9)8-13(19-12)11(18)3-2-6-14(15,16)17/h4-5,7-8,11,18H,2-3,6H2,1H3
InChIKeyWLWJPOZIJGWGQV-UHFFFAOYSA-N
XLogP4.51
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114724900
3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114726904
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol
CID 64566757
1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105129184
1-(5-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 105129170
3-(furan-2-yl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 105129193
2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 103053486
1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol
CID 114735119
2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63017844
1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114726614
2-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63016416

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol (CID 105120593) is 5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol is Cc1ccc2oc(C(O)CCCC(F)(F)F)cc2c1.
What is the InChIKey of 5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol?
The InChIKey is WLWJPOZIJGWGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O2/c1-9-4-5-12-10(7-9)8-13(19-12)11(18)3-2-6-14(15,16)17/h4-5,7-8,11,18H,2-3,6H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol?
5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol has a molecular weight of 272.27 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol is sourced from PubChem (CID 105120593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).