N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-3-carboxamide

C10H16F3NO3 — CID 113351079

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-3-carboxamide
SMILESO=C(C1CCCOC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-14(3-4-15)9(16)8-2-1-5-17-6-8/h8,15H,1-7H2
InChIKeyZLSRHEOXVAUGDC-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.80
Rot. Bonds4

About N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-3-carboxamide

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-3-carboxamide (PubChem CID 113351079) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-3-carboxamide
PubChem CID113351079
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-3-carboxamide
SMILESO=C(C1CCCOC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-14(3-4-15)9(16)8-2-1-5-17-6-8/h8,15H,1-7H2
InChIKeyZLSRHEOXVAUGDC-UHFFFAOYSA-N
XLogP0.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-3-carboxamide (CID 113351079) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-3-carboxamide is O=C(C1CCCOC1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-3-carboxamide?
The InChIKey is ZLSRHEOXVAUGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)7-14(3-4-15)9(16)8-2-1-5-17-6-8/h8,15H,1-7H2.
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-3-carboxamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-3-carboxamide has a molecular weight of 255.24 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-3-carboxamide is sourced from PubChem (CID 113351079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).