tert-butyl N-(4',4'-difluorospiro[5H-furo[3,4-b]pyridine-7,1'-cyclohexane]-2-yl)carbamate

C17H22F2N2O3 — CID 176913473

IUPACtert-butyl N-(4',4'-difluorospiro[5H-furo[3,4-b]pyridine-7,1'-cyclohexane]-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(n1)C1(CCC(F)(F)CC1)OC2
InChIInChI=1S/C17H22F2N2O3/c1-15(2,3)24-14(22)21-12-5-4-11-10-23-16(13(11)20-12)6-8-17(18,19)9-7-16/h4-5H,6-10H2,1-3H3,(H,20,21,22)
InChIKeyONTOZYZGSAODGI-UHFFFAOYSA-N
MW340.37 g/mol
LogP4.36
Rot. Bonds1

About tert-butyl N-(4',4'-difluorospiro[5H-furo[3,4-b]pyridine-7,1'-cyclohexane]-2-yl)carbamate

tert-butyl N-(4',4'-difluorospiro[5H-furo[3,4-b]pyridine-7,1'-cyclohexane]-2-yl)carbamate (PubChem CID 176913473) has the molecular formula C17H22F2N2O3 and a molecular weight of 340.37 g/mol. Its IUPAC name is tert-butyl N-(4',4'-difluorospiro[5H-furo[3,4-b]pyridine-7,1'-cyclohexane]-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4',4'-difluorospiro[5H-furo[3,4-b]pyridine-7,1'-cyclohexane]-2-yl)carbamate
PubChem CID176913473
Molecular FormulaC17H22F2N2O3
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC Nametert-butyl N-(4',4'-difluorospiro[5H-furo[3,4-b]pyridine-7,1'-cyclohexane]-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(n1)C1(CCC(F)(F)CC1)OC2
InChIInChI=1S/C17H22F2N2O3/c1-15(2,3)24-14(22)21-12-5-4-11-10-23-16(13(11)20-12)6-8-17(18,19)9-7-16/h4-5H,6-10H2,1-3H3,(H,20,21,22)
InChIKeyONTOZYZGSAODGI-UHFFFAOYSA-N
XLogP4.36
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(4',4'-difluorospiro[5H-furo[3,4-b]pyridine-7,1'-cyclohexane]-2-yl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4',4'-difluorospiro[5H-furo[3,4-b]pyridine-7,1'-cyclohexane]-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4',4'-difluorospiro[5H-furo[3,4-b]pyridine-7,1'-cyclohexane]-2-yl)carbamate (CID 176913473) is tert-butyl N-(4',4'-difluorospiro[5H-furo[3,4-b]pyridine-7,1'-cyclohexane]-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4',4'-difluorospiro[5H-furo[3,4-b]pyridine-7,1'-cyclohexane]-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4',4'-difluorospiro[5H-furo[3,4-b]pyridine-7,1'-cyclohexane]-2-yl)carbamate is CC(C)(C)OC(=O)Nc1ccc2c(n1)C1(CCC(F)(F)CC1)OC2.
What is the InChIKey of tert-butyl N-(4',4'-difluorospiro[5H-furo[3,4-b]pyridine-7,1'-cyclohexane]-2-yl)carbamate?
The InChIKey is ONTOZYZGSAODGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O3/c1-15(2,3)24-14(22)21-12-5-4-11-10-23-16(13(11)20-12)6-8-17(18,19)9-7-16/h4-5H,6-10H2,1-3H3,(H,20,21,22).
What are the key properties of tert-butyl N-(4',4'-difluorospiro[5H-furo[3,4-b]pyridine-7,1'-cyclohexane]-2-yl)carbamate?
tert-butyl N-(4',4'-difluorospiro[5H-furo[3,4-b]pyridine-7,1'-cyclohexane]-2-yl)carbamate has a molecular weight of 340.37 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4',4'-difluorospiro[5H-furo[3,4-b]pyridine-7,1'-cyclohexane]-2-yl)carbamate is sourced from PubChem (CID 176913473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).