tert-butyl N-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)carbamate

C10H18F3NO3 — CID 88888630

IUPACtert-butyl N-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCO)CC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-9(2,3)17-8(16)14(5-4-6-15)7-10(11,12)13/h15H,4-7H2,1-3H3
InChIKeyYRJMINCSNVWATH-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.17
Rot. Bonds4

About tert-butyl N-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)carbamate

tert-butyl N-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 88888630) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is tert-butyl N-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)carbamate
PubChem CID88888630
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Nametert-butyl N-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCO)CC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-9(2,3)17-8(16)14(5-4-6-15)7-10(11,12)13/h15H,4-7H2,1-3H3
InChIKeyYRJMINCSNVWATH-UHFFFAOYSA-N
XLogP2.17
TPSA49.77 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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of tert-butyl N-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)carbamate (CID 88888630) is tert-butyl N-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for tert-butyl N-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)carbamate is CC(C)(C)OC(=O)N(CCCO)CC(F)(F)F.
What is the InChIKey of tert-butyl N-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is YRJMINCSNVWATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-9(2,3)17-8(16)14(5-4-6-15)7-10(11,12)13/h15H,4-7H2,1-3H3.
What are the key properties of tert-butyl N-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)carbamate?
tert-butyl N-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 257.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 88888630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).