N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)formamide

C5H8F3NO2 — CID 64992314

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)formamide
SMILESO=CN(CCO)CC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c6-5(7,8)3-9(4-11)1-2-10/h4,10H,1-3H2
InChIKeyHABAQHFKTOIHOT-UHFFFAOYSA-N
MW171.12 g/mol
LogP-0.00
Rot. Bonds4

About N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)formamide

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)formamide (PubChem CID 64992314) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)formamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)formamide
PubChem CID64992314
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)formamide
SMILESO=CN(CCO)CC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c6-5(7,8)3-9(4-11)1-2-10/h4,10H,1-3H2
InChIKeyHABAQHFKTOIHOT-UHFFFAOYSA-N
XLogP-0.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)formamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)formamide (CID 64992314) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)formamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)formamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)formamide is O=CN(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)formamide?
The InChIKey is HABAQHFKTOIHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c6-5(7,8)3-9(4-11)1-2-10/h4,10H,1-3H2.
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)formamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)formamide has a molecular weight of 171.12 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)formamide is sourced from PubChem (CID 64992314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).