N-(2-hydroxyethyl)-N-(trifluoromethyl)formamide

C4H6F3NO2 — CID 87322422

IUPACN-(2-hydroxyethyl)-N-(trifluoromethyl)formamide
SMILESO=CN(CCO)C(F)(F)F
InChIInChI=1S/C4H6F3NO2/c5-4(6,7)8(3-10)1-2-9/h3,9H,1-2H2
InChIKeyOYOXYUQJMSAGLJ-UHFFFAOYSA-N
MW157.09 g/mol
LogP-0.04
Rot. Bonds3

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

N-(2-hydroxyethyl)-N-(trifluoromethyl)formamide (PubChem CID 87322422) has the molecular formula C4H6F3NO2 and a molecular weight of 157.09 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(trifluoromethyl)formamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(trifluoromethyl)formamide
PubChem CID87322422
Molecular FormulaC4H6F3NO2
Molecular Weight157.09 g/mol
Exact Mass157.04
IUPAC NameN-(2-hydroxyethyl)-N-(trifluoromethyl)formamide
SMILESO=CN(CCO)C(F)(F)F
InChIInChI=1S/C4H6F3NO2/c5-4(6,7)8(3-10)1-2-9/h3,9H,1-2H2
InChIKeyOYOXYUQJMSAGLJ-UHFFFAOYSA-N
XLogP-0.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.09
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(trifluoromethyl)formamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(trifluoromethyl)formamide (CID 87322422) is N-(2-hydroxyethyl)-N-(trifluoromethyl)formamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(trifluoromethyl)formamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(trifluoromethyl)formamide is O=CN(CCO)C(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(trifluoromethyl)formamide?
The InChIKey is OYOXYUQJMSAGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO2/c5-4(6,7)8(3-10)1-2-9/h3,9H,1-2H2.
What are the key properties of N-(2-hydroxyethyl)-N-(trifluoromethyl)formamide?
N-(2-hydroxyethyl)-N-(trifluoromethyl)formamide has a molecular weight of 157.09 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(trifluoromethyl)formamide is sourced from PubChem (CID 87322422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).