trifluoromethyl N-(2-hydroxyethyl)-N-methylcarbamate

C5H8F3NO3 — CID 141317064

IUPACtrifluoromethyl N-(2-hydroxyethyl)-N-methylcarbamate
SMILESCN(CCO)C(=O)OC(F)(F)F
InChIInChI=1S/C5H8F3NO3/c1-9(2-3-10)4(11)12-5(6,7)8/h10H,2-3H2,1H3
InChIKeyHHQHCEVMHJFWQV-UHFFFAOYSA-N
MW187.12 g/mol
LogP0.57
Rot. Bonds2

About trifluoromethyl N-(2-hydroxyethyl)-N-methylcarbamate

trifluoromethyl N-(2-hydroxyethyl)-N-methylcarbamate (PubChem CID 141317064) has the molecular formula C5H8F3NO3 and a molecular weight of 187.12 g/mol. Its IUPAC name is trifluoromethyl N-(2-hydroxyethyl)-N-methylcarbamate.

Molecular Properties

Compound Nametrifluoromethyl N-(2-hydroxyethyl)-N-methylcarbamate
PubChem CID141317064
Molecular FormulaC5H8F3NO3
Molecular Weight187.12 g/mol
Exact Mass187.05
IUPAC Nametrifluoromethyl N-(2-hydroxyethyl)-N-methylcarbamate
SMILESCN(CCO)C(=O)OC(F)(F)F
InChIInChI=1S/C5H8F3NO3/c1-9(2-3-10)4(11)12-5(6,7)8/h10H,2-3H2,1H3
InChIKeyHHQHCEVMHJFWQV-UHFFFAOYSA-N
XLogP0.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.12
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trifluoromethyl N-(2-hydroxyethyl)-N-methylcarbamate?
The IUPAC name of trifluoromethyl N-(2-hydroxyethyl)-N-methylcarbamate (CID 141317064) is trifluoromethyl N-(2-hydroxyethyl)-N-methylcarbamate.
What is the SMILES notation for trifluoromethyl N-(2-hydroxyethyl)-N-methylcarbamate?
The canonical SMILES for trifluoromethyl N-(2-hydroxyethyl)-N-methylcarbamate is CN(CCO)C(=O)OC(F)(F)F.
What is the InChIKey of trifluoromethyl N-(2-hydroxyethyl)-N-methylcarbamate?
The InChIKey is HHQHCEVMHJFWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO3/c1-9(2-3-10)4(11)12-5(6,7)8/h10H,2-3H2,1H3.
What are the key properties of trifluoromethyl N-(2-hydroxyethyl)-N-methylcarbamate?
trifluoromethyl N-(2-hydroxyethyl)-N-methylcarbamate has a molecular weight of 187.12 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl N-(2-hydroxyethyl)-N-methylcarbamate is sourced from PubChem (CID 141317064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).