(2,2-difluoro-2-hydroxyethyl) N,N-dimethylcarbamate

C5H9F2NO3 — CID 126598626

IUPAC(2,2-difluoro-2-hydroxyethyl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCC(O)(F)F
InChIInChI=1S/C5H9F2NO3/c1-8(2)4(9)11-3-5(6,7)10/h10H,3H2,1-2H3
InChIKeyYXOXPMQJNWASCJ-UHFFFAOYSA-N
MW169.13 g/mol
LogP0.27
Rot. Bonds2

About (2,2-difluoro-2-hydroxyethyl) N,N-dimethylcarbamate

(2,2-difluoro-2-hydroxyethyl) N,N-dimethylcarbamate (PubChem CID 126598626) has the molecular formula C5H9F2NO3 and a molecular weight of 169.13 g/mol. Its IUPAC name is (2,2-difluoro-2-hydroxyethyl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(2,2-difluoro-2-hydroxyethyl) N,N-dimethylcarbamate
PubChem CID126598626
Molecular FormulaC5H9F2NO3
Molecular Weight169.13 g/mol
Exact Mass169.06
IUPAC Name(2,2-difluoro-2-hydroxyethyl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCC(O)(F)F
InChIInChI=1S/C5H9F2NO3/c1-8(2)4(9)11-3-5(6,7)10/h10H,3H2,1-2H3
InChIKeyYXOXPMQJNWASCJ-UHFFFAOYSA-N
XLogP0.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.13
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-2-hydroxyethyl) N,N-dimethylcarbamate?
The IUPAC name of (2,2-difluoro-2-hydroxyethyl) N,N-dimethylcarbamate (CID 126598626) is (2,2-difluoro-2-hydroxyethyl) N,N-dimethylcarbamate.
What is the SMILES notation for (2,2-difluoro-2-hydroxyethyl) N,N-dimethylcarbamate?
The canonical SMILES for (2,2-difluoro-2-hydroxyethyl) N,N-dimethylcarbamate is CN(C)C(=O)OCC(O)(F)F.
What is the InChIKey of (2,2-difluoro-2-hydroxyethyl) N,N-dimethylcarbamate?
The InChIKey is YXOXPMQJNWASCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO3/c1-8(2)4(9)11-3-5(6,7)10/h10H,3H2,1-2H3.
What are the key properties of (2,2-difluoro-2-hydroxyethyl) N,N-dimethylcarbamate?
(2,2-difluoro-2-hydroxyethyl) N,N-dimethylcarbamate has a molecular weight of 169.13 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-2-hydroxyethyl) N,N-dimethylcarbamate is sourced from PubChem (CID 126598626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).