2-methylpropyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate

C9H16F3NO3 — CID 107483486

IUPAC2-methylpropyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
SMILESCC(C)COC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-7(2)5-16-8(15)13(3-4-14)6-9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyGTDOOMAMDYEINV-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.64
Rot. Bonds5

About 2-methylpropyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate

2-methylpropyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 107483486) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-methylpropyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
PubChem CID107483486
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name2-methylpropyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
SMILESCC(C)COC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-7(2)5-16-8(15)13(3-4-14)6-9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyGTDOOMAMDYEINV-UHFFFAOYSA-N
XLogP1.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of 2-methylpropyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate (CID 107483486) is 2-methylpropyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate is CC(C)COC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-methylpropyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is GTDOOMAMDYEINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-7(2)5-16-8(15)13(3-4-14)6-9(10,11)12/h7,14H,3-6H2,1-2H3.
What are the key properties of 2-methylpropyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate?
2-methylpropyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 243.22 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 107483486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).