tert-butyl N-[2,2-difluoro-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]carbamate

C16H24F2N2O3 — CID 107094040

IUPACtert-butyl N-[2,2-difluoro-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(F)(F)CNC1CCCc2occc21
InChIInChI=1S/C16H24F2N2O3/c1-15(2,3)23-14(21)20-10-16(17,18)9-19-12-5-4-6-13-11(12)7-8-22-13/h7-8,12,19H,4-6,9-10H2,1-3H3,(H,20,21)
InChIKeyQZMJFCFZZUJCPI-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.41
Rot. Bonds5

About tert-butyl N-[2,2-difluoro-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]carbamate

tert-butyl N-[2,2-difluoro-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]carbamate (PubChem CID 107094040) has the molecular formula C16H24F2N2O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is tert-butyl N-[2,2-difluoro-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2,2-difluoro-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]carbamate
PubChem CID107094040
Molecular FormulaC16H24F2N2O3
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Nametert-butyl N-[2,2-difluoro-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(F)(F)CNC1CCCc2occc21
InChIInChI=1S/C16H24F2N2O3/c1-15(2,3)23-14(21)20-10-16(17,18)9-19-12-5-4-6-13-11(12)7-8-22-13/h7-8,12,19H,4-6,9-10H2,1-3H3,(H,20,21)
InChIKeyQZMJFCFZZUJCPI-UHFFFAOYSA-N
XLogP3.41
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2,2-difluoro-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cyclobutyl]carbamate
CID 107093993
N-(2-methoxy-2-methylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 104759614
N,2,2-trimethyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanamide
CID 103096687
N-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 106290111
N-propyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide
CID 115466077
2,2,2-trifluoroethyl N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamate
CID 61068662
3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanoic acid
CID 115466058
tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate
CID 107257366
N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466646
2-[4-[[[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]amino]methyl]phenyl]propan-2-ol
CID 129402709
N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208271
N-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]methanesulfonamide
CID 113315133

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,2-difluoro-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2,2-difluoro-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]carbamate (CID 107094040) is tert-butyl N-[2,2-difluoro-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2,2-difluoro-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2,2-difluoro-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]carbamate is CC(C)(C)OC(=O)NCC(F)(F)CNC1CCCc2occc21.
What is the InChIKey of tert-butyl N-[2,2-difluoro-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]carbamate?
The InChIKey is QZMJFCFZZUJCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O3/c1-15(2,3)23-14(21)20-10-16(17,18)9-19-12-5-4-6-13-11(12)7-8-22-13/h7-8,12,19H,4-6,9-10H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[2,2-difluoro-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]carbamate?
tert-butyl N-[2,2-difluoro-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]carbamate has a molecular weight of 330.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2,2-difluoro-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]carbamate is sourced from PubChem (CID 107094040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).