tert-butyl N-(2-ethoxy-3,3,3-trifluoropropyl)carbamate

C10H18F3NO3 — CID 90365937

IUPACtert-butyl N-(2-ethoxy-3,3,3-trifluoropropyl)carbamate
SMILESCCOC(CNC(=O)OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-5-16-7(10(11,12)13)6-14-8(15)17-9(2,3)4/h7H,5-6H2,1-4H3,(H,14,15)
InChIKeyAHYIYVUFAVAIOX-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.48
Rot. Bonds4

About tert-butyl N-(2-ethoxy-3,3,3-trifluoropropyl)carbamate

tert-butyl N-(2-ethoxy-3,3,3-trifluoropropyl)carbamate (PubChem CID 90365937) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is tert-butyl N-(2-ethoxy-3,3,3-trifluoropropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-ethoxy-3,3,3-trifluoropropyl)carbamate
PubChem CID90365937
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Nametert-butyl N-(2-ethoxy-3,3,3-trifluoropropyl)carbamate
SMILESCCOC(CNC(=O)OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-5-16-7(10(11,12)13)6-14-8(15)17-9(2,3)4/h7H,5-6H2,1-4H3,(H,14,15)
InChIKeyAHYIYVUFAVAIOX-UHFFFAOYSA-N
XLogP2.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.48
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-ethoxy-3,3,3-trifluoropropyl)carbamate?
The IUPAC name of tert-butyl N-(2-ethoxy-3,3,3-trifluoropropyl)carbamate (CID 90365937) is tert-butyl N-(2-ethoxy-3,3,3-trifluoropropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-ethoxy-3,3,3-trifluoropropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-ethoxy-3,3,3-trifluoropropyl)carbamate is CCOC(CNC(=O)OC(C)(C)C)C(F)(F)F.
What is the InChIKey of tert-butyl N-(2-ethoxy-3,3,3-trifluoropropyl)carbamate?
The InChIKey is AHYIYVUFAVAIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-5-16-7(10(11,12)13)6-14-8(15)17-9(2,3)4/h7H,5-6H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-(2-ethoxy-3,3,3-trifluoropropyl)carbamate?
tert-butyl N-(2-ethoxy-3,3,3-trifluoropropyl)carbamate has a molecular weight of 257.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-ethoxy-3,3,3-trifluoropropyl)carbamate is sourced from PubChem (CID 90365937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).