2,2-difluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate

C6H11F2NO3 — CID 150421564

IUPAC2,2-difluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate
SMILESCN(CCO)C(=O)OCC(F)F
InChIInChI=1S/C6H11F2NO3/c1-9(2-3-10)6(11)12-4-5(7)8/h5,10H,2-4H2,1H3
InChIKeyHHWYEMGLFNQFFF-UHFFFAOYSA-N
MW183.15 g/mol
LogP0.31
Rot. Bonds4

About 2,2-difluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate

2,2-difluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate (PubChem CID 150421564) has the molecular formula C6H11F2NO3 and a molecular weight of 183.15 g/mol. Its IUPAC name is 2,2-difluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate.

Molecular Properties

Compound Name2,2-difluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate
PubChem CID150421564
Molecular FormulaC6H11F2NO3
Molecular Weight183.15 g/mol
Exact Mass183.07
IUPAC Name2,2-difluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate
SMILESCN(CCO)C(=O)OCC(F)F
InChIInChI=1S/C6H11F2NO3/c1-9(2-3-10)6(11)12-4-5(7)8/h5,10H,2-4H2,1H3
InChIKeyHHWYEMGLFNQFFF-UHFFFAOYSA-N
XLogP0.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate?
The IUPAC name of 2,2-difluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate (CID 150421564) is 2,2-difluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate.
What is the SMILES notation for 2,2-difluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate?
The canonical SMILES for 2,2-difluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate is CN(CCO)C(=O)OCC(F)F.
What is the InChIKey of 2,2-difluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate?
The InChIKey is HHWYEMGLFNQFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO3/c1-9(2-3-10)6(11)12-4-5(7)8/h5,10H,2-4H2,1H3.
What are the key properties of 2,2-difluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate?
2,2-difluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate has a molecular weight of 183.15 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate is sourced from PubChem (CID 150421564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).