tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetate

C15H19F2NO3 — CID 118627152

IUPACtert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetate
SMILESCC(C)(C)OC(=O)Cc1cc(OC2CC(F)(F)C2)ccn1
InChIInChI=1S/C15H19F2NO3/c1-14(2,3)21-13(19)7-10-6-11(4-5-18-10)20-12-8-15(16,17)9-12/h4-6,12H,7-9H2,1-3H3
InChIKeyZXZSWAZSQQQWRU-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.14
Rot. Bonds4

About tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetate

tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetate (PubChem CID 118627152) has the molecular formula C15H19F2NO3 and a molecular weight of 299.32 g/mol. Its IUPAC name is tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetate
PubChem CID118627152
Molecular FormulaC15H19F2NO3
Molecular Weight299.32 g/mol
Exact Mass299.13
IUPAC Nametert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetate
SMILESCC(C)(C)OC(=O)Cc1cc(OC2CC(F)(F)C2)ccn1
InChIInChI=1S/C15H19F2NO3/c1-14(2,3)21-13(19)7-10-6-11(4-5-18-10)20-12-8-15(16,17)9-12/h4-6,12H,7-9H2,1-3H3
InChIKeyZXZSWAZSQQQWRU-UHFFFAOYSA-N
XLogP3.14
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-[[2-(hydroxymethyl)-4-pyridinyl]oxy]pyrrolidine-1-carboxylate
CID 166114212
2-(4-cyclobutyloxy-2-pyridinyl)acetic acid
CID 118627309
(2R)-2-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]pentanoic acid
CID 141487608
tert-butyl 4-[[2-(methylsulfonyloxymethyl)-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 164602392
[4-(2,2,6,6-tetramethyloxan-4-yl)oxy-2-pyridinyl]methanol
CID 118549723
4-(3,3-difluorocyclobutyl)oxypyridine
CID 151538353
tert-butyl (2S)-2-[3-(4-chloro-2-pyridinyl)propanoyl]-4,4-difluoropyrrolidine-1-carboxylate
CID 148633367
tert-butyl (2S,4R)-2-iodo-4-[(2-methyl-4-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 156738688
1-O-tert-butyl 2-O-methyl (2R,4S)-4-[[2-[(4-chloro-2-fluorophenoxy)methyl]-4-pyridinyl]oxy]piperidine-1,2-dicarboxylate
CID 176899215
(4-cyclopentyloxy-2-pyridinyl)methanol
CID 61258192
tert-butyl 3-[(1Z,3E)-1,4-diamino-4-[[2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetyl]amino]buta-1,3-dienyl]pyrrolidine-1-carboxylate
CID 146526956
[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-pyridinyl]methanol
CID 146557427

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetate?
The IUPAC name of tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetate (CID 118627152) is tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetate.
What is the SMILES notation for tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetate?
The canonical SMILES for tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetate is CC(C)(C)OC(=O)Cc1cc(OC2CC(F)(F)C2)ccn1.
What is the InChIKey of tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetate?
The InChIKey is ZXZSWAZSQQQWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO3/c1-14(2,3)21-13(19)7-10-6-11(4-5-18-10)20-12-8-15(16,17)9-12/h4-6,12H,7-9H2,1-3H3.
What are the key properties of tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetate?
tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetate has a molecular weight of 299.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetate is sourced from PubChem (CID 118627152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).