(2S)-3-amino-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1-difluoropropan-2-ol

C18H17F5N2O2 — CID 156872879

IUPAC(2S)-3-amino-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1-difluoropropan-2-ol
SMILESNC[C@](O)(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2(CF)CF)C(F)F
InChIInChI=1S/C18H17F5N2O2/c19-6-17(7-20)9-27-15-12(17)5-13(18(26,8-24)16(22)23)25-14(15)10-1-3-11(21)4-2-10/h1-5,16,26H,6-9,24H2/t18-/m0/s1
InChIKeyNPOOSLHUMCNUBP-SFHVURJKSA-N
MW388.34 g/mol
LogP2.87
Rot. Bonds6

About (2S)-3-amino-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1-difluoropropan-2-ol

(2S)-3-amino-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1-difluoropropan-2-ol (PubChem CID 156872879) has the molecular formula C18H17F5N2O2 and a molecular weight of 388.34 g/mol. Its IUPAC name is (2S)-3-amino-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-3-amino-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1-difluoropropan-2-ol
PubChem CID156872879
Molecular FormulaC18H17F5N2O2
Molecular Weight388.34 g/mol
Exact Mass388.12
IUPAC Name(2S)-3-amino-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1-difluoropropan-2-ol
SMILESNC[C@](O)(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2(CF)CF)C(F)F
InChIInChI=1S/C18H17F5N2O2/c19-6-17(7-20)9-27-15-12(17)5-13(18(26,8-24)16(22)23)25-14(15)10-1-3-11(21)4-2-10/h1-5,16,26H,6-9,24H2/t18-/m0/s1
InChIKeyNPOOSLHUMCNUBP-SFHVURJKSA-N
XLogP2.87
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-3-amino-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1-difluoropropan-2-ol with MolForge

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Related Compounds

3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-5-iodo-2H-furo[2,3-c]pyridine
CID 156872359
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
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
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)-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
(3R)-N-(2,2-difluoroethyl)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-3-(fluoroamino)-2-hydroxypropan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 156872805
(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-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-2H-furo[2,3-c]pyridine
CID 156872917
N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 122503109
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
(3S)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carbonitrile
CID 166783367

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1-difluoropropan-2-ol?
The IUPAC name of (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) is (2S)-3-amino-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1-difluoropropan-2-ol.
What is the SMILES notation for (2S)-3-amino-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1-difluoropropan-2-ol?
The canonical SMILES for (2S)-3-amino-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1-difluoropropan-2-ol is NC[C@](O)(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2(CF)CF)C(F)F.
What is the InChIKey of (2S)-3-amino-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1-difluoropropan-2-ol?
The InChIKey is NPOOSLHUMCNUBP-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17F5N2O2/c19-6-17(7-20)9-27-15-12(17)5-13(18(26,8-24)16(22)23)25-14(15)10-1-3-11(21)4-2-10/h1-5,16,26H,6-9,24H2/t18-/m0/s1.
What are the key properties of (2S)-3-amino-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1-difluoropropan-2-ol?
(2S)-3-amino-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1-difluoropropan-2-ol has a molecular weight of 388.34 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 156872879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).