2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol

C14H14F4O2 — CID 166532172

IUPAC2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol
SMILESCCc1c(C(O)(CC)C(F)(F)F)oc2ccc(F)cc12
InChIInChI=1S/C14H14F4O2/c1-3-9-10-7-8(15)5-6-11(10)20-12(9)13(19,4-2)14(16,17)18/h5-7,19H,3-4H2,1-2H3
InChIKeyPFQCBDZSMROVNZ-UHFFFAOYSA-N
MW290.26 g/mol
LogP4.29
Rot. Bonds3

About 2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol

2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol (PubChem CID 166532172) has the molecular formula C14H14F4O2 and a molecular weight of 290.26 g/mol. Its IUPAC name is 2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol
PubChem CID166532172
Molecular FormulaC14H14F4O2
Molecular Weight290.26 g/mol
Exact Mass290.09
IUPAC Name2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol
SMILESCCc1c(C(O)(CC)C(F)(F)F)oc2ccc(F)cc12
InChIInChI=1S/C14H14F4O2/c1-3-9-10-7-8(15)5-6-11(10)20-12(9)13(19,4-2)14(16,17)18/h5-7,19H,3-4H2,1-2H3
InChIKeyPFQCBDZSMROVNZ-UHFFFAOYSA-N
XLogP4.29
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 104842839
(5-fluoro-2-methyl-1-benzofuran-3-yl)methanamine
CID 83906292
5-fluoro-3-propyl-1-benzofuran-2-carbonitrile
CID 62380864
3-(5-fluoro-2-methyl-1-benzofuran-3-yl)propanoic acid
CID 83910707
N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 65112503
3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol
CID 63082919
2-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylbutane-2-sulfonic acid
CID 172558037
N-(3-ethylpent-1-yn-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 18165923
6-fluoro-2-(hydroxymethyl)chromen-4-one
CID 14089208
2-fluoro-8-[[4-(trifluoromethyl)phenyl]methyl]dibenzofuran
CID 90910281
2-(5-fluoro-1-benzofuran-2-yl)heptan-2-ol
CID 114724338
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone
CID 112723138

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol?
The IUPAC name of 2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol (CID 166532172) is 2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for 2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for 2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol is CCc1c(C(O)(CC)C(F)(F)F)oc2ccc(F)cc12.
What is the InChIKey of 2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol?
The InChIKey is PFQCBDZSMROVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4O2/c1-3-9-10-7-8(15)5-6-11(10)20-12(9)13(19,4-2)14(16,17)18/h5-7,19H,3-4H2,1-2H3.
What are the key properties of 2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol?
2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol has a molecular weight of 290.26 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 166532172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).