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

C10H16F3NO3 — CID 103915462

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-2-carboxamide
SMILESO=C(C1CCCCO1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-14(4-5-15)9(16)8-3-1-2-6-17-8/h8,15H,1-7H2
InChIKeyPABHGPOADZYRBI-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.94
Rot. Bonds4

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

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-2-carboxamide (PubChem CID 103915462) 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-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-2-carboxamide
PubChem CID103915462
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-2-carboxamide
SMILESO=C(C1CCCCO1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-14(4-5-15)9(16)8-3-1-2-6-17-8/h8,15H,1-7H2
InChIKeyPABHGPOADZYRBI-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
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-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-2-carboxamide (CID 103915462) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-2-carboxamide is O=C(C1CCCCO1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-2-carboxamide?
The InChIKey is PABHGPOADZYRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)7-14(4-5-15)9(16)8-3-1-2-6-17-8/h8,15H,1-7H2.
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-2-carboxamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxane-2-carboxamide has a molecular weight of 255.24 g/mol, XLogP of 0.94, 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-2-carboxamide is sourced from PubChem (CID 103915462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).