3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-5-iodo-2H-furo[2,3-c]pyridine

C15H11F3INO — CID 156872359

IUPAC3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-5-iodo-2H-furo[2,3-c]pyridine
SMILESFCC1(CF)COc2c1cc(I)nc2-c1ccc(F)cc1
InChIInChI=1S/C15H11F3INO/c16-6-15(7-17)8-21-14-11(15)5-12(19)20-13(14)9-1-3-10(18)4-2-9/h1-5H,6-8H2
InChIKeyBRHFHOIIMDQLMF-UHFFFAOYSA-N
MW405.16 g/mol
LogP4.06
Rot. Bonds3

About 3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-5-iodo-2H-furo[2,3-c]pyridine

3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-5-iodo-2H-furo[2,3-c]pyridine (PubChem CID 156872359) has the molecular formula C15H11F3INO and a molecular weight of 405.16 g/mol. Its IUPAC name is 3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-5-iodo-2H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-5-iodo-2H-furo[2,3-c]pyridine
PubChem CID156872359
Molecular FormulaC15H11F3INO
Molecular Weight405.16 g/mol
Exact Mass404.98
IUPAC Name3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-5-iodo-2H-furo[2,3-c]pyridine
SMILESFCC1(CF)COc2c1cc(I)nc2-c1ccc(F)cc1
InChIInChI=1S/C15H11F3INO/c16-6-15(7-17)8-21-14-11(15)5-12(19)20-13(14)9-1-3-10(18)4-2-9/h1-5H,6-8H2
InChIKeyBRHFHOIIMDQLMF-UHFFFAOYSA-N
XLogP4.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.16
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(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
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
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-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3-difluoro-2-hydroxypropyl]-3-(difluoromethyl)-8-methoxyquinoline-6-carboxamide
CID 156872737
N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylquinoline-6-carboxamide
CID 156872961
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-2-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
CID 145146088
(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
3-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-2-fluoroazetidine-1-carbaldehyde;3-chloro-8-methoxy-6-methylquinoline
CID 156872478
(3R)-3-ethyl-7-(4-fluorophenyl)-3-methyl-5-[(2R)-2-(trifluoromethyl)oxiran-2-yl]-2H-furo[2,3-c]pyridine
CID 164990741
(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

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-5-iodo-2H-furo[2,3-c]pyridine?
The IUPAC name of 3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-5-iodo-2H-furo[2,3-c]pyridine (CID 156872359) is 3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-5-iodo-2H-furo[2,3-c]pyridine.
What is the SMILES notation for 3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-5-iodo-2H-furo[2,3-c]pyridine?
The canonical SMILES for 3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-5-iodo-2H-furo[2,3-c]pyridine is FCC1(CF)COc2c1cc(I)nc2-c1ccc(F)cc1.
What is the InChIKey of 3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-5-iodo-2H-furo[2,3-c]pyridine?
The InChIKey is BRHFHOIIMDQLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3INO/c16-6-15(7-17)8-21-14-11(15)5-12(19)20-13(14)9-1-3-10(18)4-2-9/h1-5H,6-8H2.
What are the key properties of 3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-5-iodo-2H-furo[2,3-c]pyridine?
3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-5-iodo-2H-furo[2,3-c]pyridine has a molecular weight of 405.16 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-5-iodo-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 156872359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).