(3R)-3-ethyl-7-(4-fluorophenyl)-3-methyl-5-[(2R)-2-(trifluoromethyl)oxiran-2-yl]-2H-furo[2,3-c]pyridine

C19H17F4NO2 — CID 164990741

IUPAC(3R)-3-ethyl-7-(4-fluorophenyl)-3-methyl-5-[(2R)-2-(trifluoromethyl)oxiran-2-yl]-2H-furo[2,3-c]pyridine
SMILESCC[C@@]1(C)COc2c1cc([C@]1(C(F)(F)F)CO1)nc2-c1ccc(F)cc1
InChIInChI=1S/C19H17F4NO2/c1-3-17(2)9-25-16-13(17)8-14(18(10-26-18)19(21,22)23)24-15(16)11-4-6-12(20)7-5-11/h4-8H,3,9-10H2,1-2H3/t17-,18-/m0/s1
InChIKeyRVEYVMJZVVCIRR-ROUUACIJSA-N
MW367.34 g/mol
LogP4.74
Rot. Bonds3

About (3R)-3-ethyl-7-(4-fluorophenyl)-3-methyl-5-[(2R)-2-(trifluoromethyl)oxiran-2-yl]-2H-furo[2,3-c]pyridine

(3R)-3-ethyl-7-(4-fluorophenyl)-3-methyl-5-[(2R)-2-(trifluoromethyl)oxiran-2-yl]-2H-furo[2,3-c]pyridine (PubChem CID 164990741) has the molecular formula C19H17F4NO2 and a molecular weight of 367.34 g/mol. Its IUPAC name is (3R)-3-ethyl-7-(4-fluorophenyl)-3-methyl-5-[(2R)-2-(trifluoromethyl)oxiran-2-yl]-2H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name(3R)-3-ethyl-7-(4-fluorophenyl)-3-methyl-5-[(2R)-2-(trifluoromethyl)oxiran-2-yl]-2H-furo[2,3-c]pyridine
PubChem CID164990741
Molecular FormulaC19H17F4NO2
Molecular Weight367.34 g/mol
Exact Mass367.12
IUPAC Name(3R)-3-ethyl-7-(4-fluorophenyl)-3-methyl-5-[(2R)-2-(trifluoromethyl)oxiran-2-yl]-2H-furo[2,3-c]pyridine
SMILESCC[C@@]1(C)COc2c1cc([C@]1(C(F)(F)F)CO1)nc2-c1ccc(F)cc1
InChIInChI=1S/C19H17F4NO2/c1-3-17(2)9-25-16-13(17)8-14(18(10-26-18)19(21,22)23)24-15(16)11-4-6-12(20)7-5-11/h4-8H,3,9-10H2,1-2H3/t17-,18-/m0/s1
InChIKeyRVEYVMJZVVCIRR-ROUUACIJSA-N
XLogP4.74
TPSA34.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(3R)-3-ethyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]butan-2-ol;(2R)-2-[(3S)-7-(4-fluorophenyl)-3-(hydroxymethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]butan-2-ol
CID 167650140
CID 144796268
CID 144796268
3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-2H-furo[2,3-c]pyridine
CID 156872917
2,2,2-trifluoro-1-[7-(4-fluorophenyl)-3-(iodomethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethanol
CID 156872788
N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide
CID 156872756
3-amino-1,1,1-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol
CID 166783129
(3S)-7-(4-fluorophenyl)-3-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)-2H-furo[2,3-c]pyridine
CID 163265806
(2S)-3-amino-1,1,1-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol
CID 156872640
(2R)-3-amino-2-[(3S)-3-tert-butyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
CID 122501499
3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-5-iodo-2H-furo[2,3-c]pyridine
CID 156872359
N-[(3R)-7-(4-fluorophenyl)-5-[(2R)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
CID 166680757
(3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxylic acid
CID 156872655

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-7-(4-fluorophenyl)-3-methyl-5-[(2R)-2-(trifluoromethyl)oxiran-2-yl]-2H-furo[2,3-c]pyridine?
The IUPAC name of (3R)-3-ethyl-7-(4-fluorophenyl)-3-methyl-5-[(2R)-2-(trifluoromethyl)oxiran-2-yl]-2H-furo[2,3-c]pyridine (CID 164990741) is (3R)-3-ethyl-7-(4-fluorophenyl)-3-methyl-5-[(2R)-2-(trifluoromethyl)oxiran-2-yl]-2H-furo[2,3-c]pyridine.
What is the SMILES notation for (3R)-3-ethyl-7-(4-fluorophenyl)-3-methyl-5-[(2R)-2-(trifluoromethyl)oxiran-2-yl]-2H-furo[2,3-c]pyridine?
The canonical SMILES for (3R)-3-ethyl-7-(4-fluorophenyl)-3-methyl-5-[(2R)-2-(trifluoromethyl)oxiran-2-yl]-2H-furo[2,3-c]pyridine is CC[C@@]1(C)COc2c1cc([C@]1(C(F)(F)F)CO1)nc2-c1ccc(F)cc1.
What is the InChIKey of (3R)-3-ethyl-7-(4-fluorophenyl)-3-methyl-5-[(2R)-2-(trifluoromethyl)oxiran-2-yl]-2H-furo[2,3-c]pyridine?
The InChIKey is RVEYVMJZVVCIRR-ROUUACIJSA-N. The full InChI is InChI=1S/C19H17F4NO2/c1-3-17(2)9-25-16-13(17)8-14(18(10-26-18)19(21,22)23)24-15(16)11-4-6-12(20)7-5-11/h4-8H,3,9-10H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of (3R)-3-ethyl-7-(4-fluorophenyl)-3-methyl-5-[(2R)-2-(trifluoromethyl)oxiran-2-yl]-2H-furo[2,3-c]pyridine?
(3R)-3-ethyl-7-(4-fluorophenyl)-3-methyl-5-[(2R)-2-(trifluoromethyl)oxiran-2-yl]-2H-furo[2,3-c]pyridine has a molecular weight of 367.34 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-7-(4-fluorophenyl)-3-methyl-5-[(2R)-2-(trifluoromethyl)oxiran-2-yl]-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 164990741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).