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

C6H10F3NO3 — CID 79345415

IUPAC2-hydroxyethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate
SMILESCN(CC(F)(F)F)C(=O)OCCO
InChIInChI=1S/C6H10F3NO3/c1-10(4-6(7,8)9)5(12)13-3-2-11/h11H,2-4H2,1H3
InChIKeySODROFPUTXXFAP-UHFFFAOYSA-N
MW201.14 g/mol
LogP0.61
Rot. Bonds3

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

2-hydroxyethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 79345415) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is 2-hydroxyethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate
PubChem CID79345415
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name2-hydroxyethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate
SMILESCN(CC(F)(F)F)C(=O)OCCO
InChIInChI=1S/C6H10F3NO3/c1-10(4-6(7,8)9)5(12)13-3-2-11/h11H,2-4H2,1H3
InChIKeySODROFPUTXXFAP-UHFFFAOYSA-N
XLogP0.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate (CID 79345415) is 2-hydroxyethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate is CN(CC(F)(F)F)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is SODROFPUTXXFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c1-10(4-6(7,8)9)5(12)13-3-2-11/h11H,2-4H2,1H3.
What are the key properties of 2-hydroxyethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate?
2-hydroxyethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 201.14 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 79345415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).