3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-2H-furo[2,3-c]pyridine

C18H14F5NO — CID 156872917

IUPAC3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-2H-furo[2,3-c]pyridine
SMILESC=C(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2(C)CF)C(F)(F)F
InChIInChI=1S/C18H14F5NO/c1-10(18(21,22)23)14-7-13-16(25-9-17(13,2)8-19)15(24-14)11-3-5-12(20)6-4-11/h3-7H,1,8-9H2,2H3
InChIKeyOTFHVSFLXIICLK-UHFFFAOYSA-N
MW355.31 g/mol
LogP5.08
Rot. Bonds3

About 3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-2H-furo[2,3-c]pyridine

3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-2H-furo[2,3-c]pyridine (PubChem CID 156872917) has the molecular formula C18H14F5NO and a molecular weight of 355.31 g/mol. Its IUPAC name is 3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-2H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-2H-furo[2,3-c]pyridine
PubChem CID156872917
Molecular FormulaC18H14F5NO
Molecular Weight355.31 g/mol
Exact Mass355.10
IUPAC Name3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-2H-furo[2,3-c]pyridine
SMILESC=C(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2(C)CF)C(F)(F)F
InChIInChI=1S/C18H14F5NO/c1-10(18(21,22)23)14-7-13-16(25-9-17(13,2)8-19)15(24-14)11-3-5-12(20)6-4-11/h3-7H,1,8-9H2,2H3
InChIKeyOTFHVSFLXIICLK-UHFFFAOYSA-N
XLogP5.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.31
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(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
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
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
(3R)-3-ethyl-7-(4-fluorophenyl)-3-methyl-5-[(2R)-2-(trifluoromethyl)oxiran-2-yl]-2H-furo[2,3-c]pyridine
CID 164990741
(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
tert-butyl N-[(3R)-5-(1-cyclopropylethenyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate
CID 164740642
3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-5-iodo-2H-furo[2,3-c]pyridine
CID 156872359
(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
(2S)-3-amino-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1-difluoropropan-2-ol
CID 156872879
8-methoxy-N-[3,3,3-trifluoro-2-[(3R)-3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinazoline-6-carboxamide
CID 166783151

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-2H-furo[2,3-c]pyridine?
The IUPAC name of 3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-2H-furo[2,3-c]pyridine (CID 156872917) is 3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-2H-furo[2,3-c]pyridine.
What is the SMILES notation for 3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-2H-furo[2,3-c]pyridine?
The canonical SMILES for 3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-2H-furo[2,3-c]pyridine is C=C(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2(C)CF)C(F)(F)F.
What is the InChIKey of 3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-2H-furo[2,3-c]pyridine?
The InChIKey is OTFHVSFLXIICLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F5NO/c1-10(18(21,22)23)14-7-13-16(25-9-17(13,2)8-19)15(24-14)11-3-5-12(20)6-4-11/h3-7H,1,8-9H2,2H3.
What are the key properties of 3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-2H-furo[2,3-c]pyridine?
3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-2H-furo[2,3-c]pyridine has a molecular weight of 355.31 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 156872917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).