[1-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl] 2,2,2-trifluoroacetate

C19H16F4N2O3 — CID 155757785

IUPAC[1-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl] 2,2,2-trifluoroacetate
SMILESO=C(ON1CCC2CC21c1cc(F)cnc1OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C19H16F4N2O3/c20-14-8-15(16(24-10-14)27-11-12-4-2-1-3-5-12)18-9-13(18)6-7-25(18)28-17(26)19(21,22)23/h1-5,8,10,13H,6-7,9,11H2
InChIKeyHGPCYYOHEXOROA-UHFFFAOYSA-N
MW396.34 g/mol
LogP3.74
Rot. Bonds5

About [1-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl] 2,2,2-trifluoroacetate

[1-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl] 2,2,2-trifluoroacetate (PubChem CID 155757785) has the molecular formula C19H16F4N2O3 and a molecular weight of 396.34 g/mol. Its IUPAC name is [1-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[1-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl] 2,2,2-trifluoroacetate
PubChem CID155757785
Molecular FormulaC19H16F4N2O3
Molecular Weight396.34 g/mol
Exact Mass396.11
IUPAC Name[1-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl] 2,2,2-trifluoroacetate
SMILESO=C(ON1CCC2CC21c1cc(F)cnc1OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C19H16F4N2O3/c20-14-8-15(16(24-10-14)27-11-12-4-2-1-3-5-12)18-9-13(18)6-7-25(18)28-17(26)19(21,22)23/h1-5,8,10,13H,6-7,9,11H2
InChIKeyHGPCYYOHEXOROA-UHFFFAOYSA-N
XLogP3.74
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl] 2,2,2-trifluoroacetate with MolForge

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Related Compounds

benzyl (1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 155674460
8-benzyl-3-(5-fluoro-2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171960371
benzyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate
CID 146597094
benzyl 3-hydroxy-3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171956566
3-[(2S)-1-[6-phenylmethoxy-5-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]propanoic acid
CID 167228887
3-[(2R)-1-[6-phenylmethoxy-5-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]propanoic acid
CID 167229589
3-[[6-phenylmethoxy-5-(trifluoromethyl)-3-pyridinyl]amino]propanoic acid
CID 174238704
4-[[[5-fluoro-2-(4-phenylmethoxyphenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid
CID 91108177
5-(1-hydroxy-3-phenylmethoxycyclobutyl)-6-methoxypyridine-3-carboxylic acid;1-[5-(1-hydroxy-3-phenylmethoxycyclobutyl)-6-methoxy-3-pyridinyl]ethanone
CID 160629007
benzyl 3-hydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171954525
3-fluoro-5-phenylmethoxybenzoic acid
CID 18971714
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylmethoxypyrazole-4-carboxylic acid
CID 146445917

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [1-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl] 2,2,2-trifluoroacetate (CID 155757785) is [1-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [1-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [1-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl] 2,2,2-trifluoroacetate is O=C(ON1CCC2CC21c1cc(F)cnc1OCc1ccccc1)C(F)(F)F.
What is the InChIKey of [1-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl] 2,2,2-trifluoroacetate?
The InChIKey is HGPCYYOHEXOROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N2O3/c20-14-8-15(16(24-10-14)27-11-12-4-2-1-3-5-12)18-9-13(18)6-7-25(18)28-17(26)19(21,22)23/h1-5,8,10,13H,6-7,9,11H2.
What are the key properties of [1-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl] 2,2,2-trifluoroacetate?
[1-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl] 2,2,2-trifluoroacetate has a molecular weight of 396.34 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 155757785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).