N-[(3-hydroxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide

C10H16F3NO4 — CID 113337960

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCC1(O)CCOC1
InChIInChI=1S/C10H16F3NO4/c11-10(12,13)7-17-3-1-8(15)14-5-9(16)2-4-18-6-9/h16H,1-7H2,(H,14,15)
InChIKeyUWZMIXRSLWCPLE-UHFFFAOYSA-N
MW271.23 g/mol
LogP0.22
Rot. Bonds6

About N-[(3-hydroxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[(3-hydroxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 113337960) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID113337960
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCC1(O)CCOC1
InChIInChI=1S/C10H16F3NO4/c11-10(12,13)7-17-3-1-8(15)14-5-9(16)2-4-18-6-9/h16H,1-7H2,(H,14,15)
InChIKeyUWZMIXRSLWCPLE-UHFFFAOYSA-N
XLogP0.22
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 113337960) is N-[(3-hydroxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)NCC1(O)CCOC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is UWZMIXRSLWCPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c11-10(12,13)7-17-3-1-8(15)14-5-9(16)2-4-18-6-9/h16H,1-7H2,(H,14,15).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 271.23 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 113337960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).