tert-butyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate

C9H16F3NO3 — CID 65142818

IUPACtert-butyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-8(2,3)16-7(15)13(4-5-14)6-9(10,11)12/h14H,4-6H2,1-3H3
InChIKeyMIOGZXKBZNQFTH-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.78
Rot. Bonds3

About tert-butyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate

tert-butyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 65142818) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
PubChem CID65142818
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Nametert-butyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-8(2,3)16-7(15)13(4-5-14)6-9(10,11)12/h14H,4-6H2,1-3H3
InChIKeyMIOGZXKBZNQFTH-UHFFFAOYSA-N
XLogP1.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.78
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-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of tert-butyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate (CID 65142818) is tert-butyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate is CC(C)(C)OC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of tert-butyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is MIOGZXKBZNQFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-8(2,3)16-7(15)13(4-5-14)6-9(10,11)12/h14H,4-6H2,1-3H3.
What are the key properties of tert-butyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate?
tert-butyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 243.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 65142818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).