tert-butyl N-[2-(difluoromethoxy)-1-phenylethyl]carbamate

C14H19F2NO3 — CID 130390973

IUPACtert-butyl N-[2-(difluoromethoxy)-1-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(COC(F)F)c1ccccc1
InChIInChI=1S/C14H19F2NO3/c1-14(2,3)20-13(18)17-11(9-19-12(15)16)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,17,18)
InChIKeyNJWHKIXMTNJLEN-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.49
Rot. Bonds5

About tert-butyl N-[2-(difluoromethoxy)-1-phenylethyl]carbamate

tert-butyl N-[2-(difluoromethoxy)-1-phenylethyl]carbamate (PubChem CID 130390973) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is tert-butyl N-[2-(difluoromethoxy)-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(difluoromethoxy)-1-phenylethyl]carbamate
PubChem CID130390973
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Nametert-butyl N-[2-(difluoromethoxy)-1-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(COC(F)F)c1ccccc1
InChIInChI=1S/C14H19F2NO3/c1-14(2,3)20-13(18)17-11(9-19-12(15)16)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,17,18)
InChIKeyNJWHKIXMTNJLEN-UHFFFAOYSA-N
XLogP3.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(difluoromethoxy)-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(difluoromethoxy)-1-phenylethyl]carbamate (CID 130390973) is tert-butyl N-[2-(difluoromethoxy)-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(difluoromethoxy)-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(difluoromethoxy)-1-phenylethyl]carbamate is CC(C)(C)OC(=O)NC(COC(F)F)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-(difluoromethoxy)-1-phenylethyl]carbamate?
The InChIKey is NJWHKIXMTNJLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-14(2,3)20-13(18)17-11(9-19-12(15)16)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(difluoromethoxy)-1-phenylethyl]carbamate?
tert-butyl N-[2-(difluoromethoxy)-1-phenylethyl]carbamate has a molecular weight of 287.31 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(difluoromethoxy)-1-phenylethyl]carbamate is sourced from PubChem (CID 130390973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).