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

C7H12F3NO3 — CID 79349418

IUPAC2-hydroxyethyl N-ethyl-N-(2,2,2-trifluoroethyl)carbamate
SMILESCCN(CC(F)(F)F)C(=O)OCCO
InChIInChI=1S/C7H12F3NO3/c1-2-11(5-7(8,9)10)6(13)14-4-3-12/h12H,2-5H2,1H3
InChIKeyHGHURWIMKRIEOI-UHFFFAOYSA-N
MW215.17 g/mol
LogP1.00
Rot. Bonds4

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

2-hydroxyethyl N-ethyl-N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 79349418) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-hydroxyethyl N-ethyl-N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-ethyl-N-(2,2,2-trifluoroethyl)carbamate
PubChem CID79349418
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name2-hydroxyethyl N-ethyl-N-(2,2,2-trifluoroethyl)carbamate
SMILESCCN(CC(F)(F)F)C(=O)OCCO
InChIInChI=1S/C7H12F3NO3/c1-2-11(5-7(8,9)10)6(13)14-4-3-12/h12H,2-5H2,1H3
InChIKeyHGHURWIMKRIEOI-UHFFFAOYSA-N
XLogP1.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxyethyl N-ethyl-N-(2,2,2-trifluoroethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 10965508
CID 10965508
CID 19833956
CID 19833956
CID 124102613
CID 124102613
CID 124102615
CID 124102615
CID 126598626
CID 126598626
CID 150421564
CID 150421564
CID 15560804
CID 15560804
CID 61066493
CID 61066493
CID 64593195
CID 64593195
CID 65169047
CID 65169047
CID 79345397
CID 79345397
CID 79345415
CID 79345415

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-ethyl-N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-ethyl-N-(2,2,2-trifluoroethyl)carbamate (CID 79349418) is 2-hydroxyethyl N-ethyl-N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-ethyl-N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-ethyl-N-(2,2,2-trifluoroethyl)carbamate is CCN(CC(F)(F)F)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-ethyl-N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is HGHURWIMKRIEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3/c1-2-11(5-7(8,9)10)6(13)14-4-3-12/h12H,2-5H2,1H3.
What are the key properties of 2-hydroxyethyl N-ethyl-N-(2,2,2-trifluoroethyl)carbamate?
2-hydroxyethyl N-ethyl-N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 215.17 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-ethyl-N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 79349418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).