2,2,2-trifluoro-1-[7-(4-fluorophenyl)-3-(iodomethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethanol

C17H14F4INO2 — CID 156872788

IUPAC2,2,2-trifluoro-1-[7-(4-fluorophenyl)-3-(iodomethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethanol
SMILESCC1(CI)COc2c1cc(C(O)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C17H14F4INO2/c1-16(7-22)8-25-14-11(16)6-12(15(24)17(19,20)21)23-13(14)9-2-4-10(18)5-3-9/h2-6,15,24H,7-8H2,1H3
InChIKeyGNUFAJWLTNSJJB-UHFFFAOYSA-N
MW467.20 g/mol
LogP4.57
Rot. Bonds3

About 2,2,2-trifluoro-1-[7-(4-fluorophenyl)-3-(iodomethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethanol

2,2,2-trifluoro-1-[7-(4-fluorophenyl)-3-(iodomethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethanol (PubChem CID 156872788) has the molecular formula C17H14F4INO2 and a molecular weight of 467.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[7-(4-fluorophenyl)-3-(iodomethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[7-(4-fluorophenyl)-3-(iodomethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethanol
PubChem CID156872788
Molecular FormulaC17H14F4INO2
Molecular Weight467.20 g/mol
Exact Mass467.00
IUPAC Name2,2,2-trifluoro-1-[7-(4-fluorophenyl)-3-(iodomethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethanol
SMILESCC1(CI)COc2c1cc(C(O)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C17H14F4INO2/c1-16(7-22)8-25-14-11(16)6-12(15(24)17(19,20)21)23-13(14)9-2-4-10(18)5-3-9/h2-6,15,24H,7-8H2,1H3
InChIKeyGNUFAJWLTNSJJB-UHFFFAOYSA-N
XLogP4.57
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.20
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-1-[7-(4-fluorophenyl)-3-(iodomethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethanol with MolForge

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Related Compounds

2-(4-Octyloxyphenyl)-5-hydroxy-6-fluoropyridine
CID 19046961
7-Fluoro-8-[4-(6-fluoro-5-octoxy-2-pyridinyl)phenyl]octan-4-ol
CID 57236848
4-(2,3-Dihydro-1-benzofuran-7-yl)-2-[(2,6-dimethylpyridin-4-yl)methyl]-1,1,1-trifluoro-4-methylpentan-2-ol
CID 60026646
2-(5-(Benzyloxy)-6-propylpyridin-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 87198314
(5-(2-Fluoro-5-methoxyphenyl)-6-neopentylpyridin-2-yl)methanol
CID 117759814
(5-(2-Fluoro-5-methoxyphenyl)-6-isobutoxypyridin-2-yl)methanol
CID 117760235
1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2,2,2-trifluoroethanol
CID 117924204
[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]methanol
CID 117924208
7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-5-[2-(trifluoromethyl)oxiran-2-yl]-2H-furo[2,3-c]pyridine
CID 117924209
3-amino-2-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
CID 117924210
N-[7-(3-chloro-4-fluorophenyl)-3-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
CID 117924555
7-(3-chloro-4-fluorophenyl)-5-(hydroxymethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-ol
CID 117924595

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[7-(4-fluorophenyl)-3-(iodomethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[7-(4-fluorophenyl)-3-(iodomethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethanol (CID 156872788) is 2,2,2-trifluoro-1-[7-(4-fluorophenyl)-3-(iodomethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[7-(4-fluorophenyl)-3-(iodomethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[7-(4-fluorophenyl)-3-(iodomethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethanol is CC1(CI)COc2c1cc(C(O)C(F)(F)F)nc2-c1ccc(F)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-[7-(4-fluorophenyl)-3-(iodomethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethanol?
The InChIKey is GNUFAJWLTNSJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4INO2/c1-16(7-22)8-25-14-11(16)6-12(15(24)17(19,20)21)23-13(14)9-2-4-10(18)5-3-9/h2-6,15,24H,7-8H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[7-(4-fluorophenyl)-3-(iodomethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethanol?
2,2,2-trifluoro-1-[7-(4-fluorophenyl)-3-(iodomethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethanol has a molecular weight of 467.20 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[7-(4-fluorophenyl)-3-(iodomethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethanol is sourced from PubChem (CID 156872788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).