tert-butyl 2-tert-butyl-5,5-difluoropiperidine-1-carboxylate

C14H25F2NO2 — CID 168743098

IUPACtert-butyl 2-tert-butyl-5,5-difluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(F)(F)CCC1C(C)(C)C
InChIInChI=1S/C14H25F2NO2/c1-12(2,3)10-7-8-14(15,16)9-17(10)11(18)19-13(4,5)6/h10H,7-9H2,1-6H3
InChIKeyZJHWAYHUUYIJJL-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.07
Rot. Bonds

About tert-butyl 2-tert-butyl-5,5-difluoropiperidine-1-carboxylate

tert-butyl 2-tert-butyl-5,5-difluoropiperidine-1-carboxylate (PubChem CID 168743098) has the molecular formula C14H25F2NO2 and a molecular weight of 277.35 g/mol. Its IUPAC name is tert-butyl 2-tert-butyl-5,5-difluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-tert-butyl-5,5-difluoropiperidine-1-carboxylate
PubChem CID168743098
Molecular FormulaC14H25F2NO2
Molecular Weight277.35 g/mol
Exact Mass277.19
IUPAC Nametert-butyl 2-tert-butyl-5,5-difluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(F)(F)CCC1C(C)(C)C
InChIInChI=1S/C14H25F2NO2/c1-12(2,3)10-7-8-14(15,16)9-17(10)11(18)19-13(4,5)6/h10H,7-9H2,1-6H3
InChIKeyZJHWAYHUUYIJJL-UHFFFAOYSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-tert-butyl-4,4-difluoropyrrolidine-1-carboxylate
CID 58395160
tert-butyl (2S)-2-ethynyl-4,4-difluoropyrrolidine-1-carboxylate
CID 165431148
tert-butyl (2R)-2-ethynyl-4,4-difluoropyrrolidine-1-carboxylate
CID 163224641
tert-butyl (2R)-2-(aminomethyl)-5,5-dimethylpiperidine-1-carboxylate
CID 124603858
(2-tert-butyl-4,4-difluoropyrrolidin-1-yl)-(4,4-difluorocyclohexyl)methanone
CID 67953155
tert-butyl 2-(aminomethyl)-4,4-difluoropyrrolidine-1-carboxylate
CID 122411574
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
1-(2-tert-butyl-5-fluoro-5-methylpiperidin-1-yl)ethanone
CID 170179080
tert-butyl 2-cyano-4,4-difluoropyrrolidine-1-carboxylate
CID 74349844
tert-butyl 4,4-difluoro-2-methylpyrrolidine-1-carboxylate;formic acid
CID 145420609
tert-butyl (2R)-4,4-difluoro-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 177223139
2-[(2S)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 163321538

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-tert-butyl-5,5-difluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-tert-butyl-5,5-difluoropiperidine-1-carboxylate (CID 168743098) is tert-butyl 2-tert-butyl-5,5-difluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-tert-butyl-5,5-difluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-tert-butyl-5,5-difluoropiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(F)(F)CCC1C(C)(C)C.
What is the InChIKey of tert-butyl 2-tert-butyl-5,5-difluoropiperidine-1-carboxylate?
The InChIKey is ZJHWAYHUUYIJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO2/c1-12(2,3)10-7-8-14(15,16)9-17(10)11(18)19-13(4,5)6/h10H,7-9H2,1-6H3.
What are the key properties of tert-butyl 2-tert-butyl-5,5-difluoropiperidine-1-carboxylate?
tert-butyl 2-tert-butyl-5,5-difluoropiperidine-1-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-tert-butyl-5,5-difluoropiperidine-1-carboxylate is sourced from PubChem (CID 168743098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).