3-amino-N-(5,5,5-trifluoropentyl)oxolane-3-carboxamide

C10H17F3N2O2 — CID 113327522

IUPAC3-amino-N-(5,5,5-trifluoropentyl)oxolane-3-carboxamide
SMILESNC1(C(=O)NCCCCC(F)(F)F)CCOC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)3-1-2-5-15-8(16)9(14)4-6-17-7-9/h1-7,14H2,(H,15,16)
InChIKeyHTWMYRWIQRLFJE-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.95
Rot. Bonds5

About 3-amino-N-(5,5,5-trifluoropentyl)oxolane-3-carboxamide

3-amino-N-(5,5,5-trifluoropentyl)oxolane-3-carboxamide (PubChem CID 113327522) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-amino-N-(5,5,5-trifluoropentyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5,5,5-trifluoropentyl)oxolane-3-carboxamide
PubChem CID113327522
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name3-amino-N-(5,5,5-trifluoropentyl)oxolane-3-carboxamide
SMILESNC1(C(=O)NCCCCC(F)(F)F)CCOC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)3-1-2-5-15-8(16)9(14)4-6-17-7-9/h1-7,14H2,(H,15,16)
InChIKeyHTWMYRWIQRLFJE-UHFFFAOYSA-N
XLogP0.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2,2-Trifluoroethylamino)oxolane-3-carboxamide
CID 63335623
3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64890960
3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64890999
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64891155
3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64891192
(3-Aminooxolan-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 64891337
3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64891348
3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64891355
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide
CID 64891625
3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide
CID 64891757
3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64892150
3-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 64892203

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5,5,5-trifluoropentyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(5,5,5-trifluoropentyl)oxolane-3-carboxamide (CID 113327522) is 3-amino-N-(5,5,5-trifluoropentyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(5,5,5-trifluoropentyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(5,5,5-trifluoropentyl)oxolane-3-carboxamide is NC1(C(=O)NCCCCC(F)(F)F)CCOC1.
What is the InChIKey of 3-amino-N-(5,5,5-trifluoropentyl)oxolane-3-carboxamide?
The InChIKey is HTWMYRWIQRLFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)3-1-2-5-15-8(16)9(14)4-6-17-7-9/h1-7,14H2,(H,15,16).
What are the key properties of 3-amino-N-(5,5,5-trifluoropentyl)oxolane-3-carboxamide?
3-amino-N-(5,5,5-trifluoropentyl)oxolane-3-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5,5,5-trifluoropentyl)oxolane-3-carboxamide is sourced from PubChem (CID 113327522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).