4-amino-N-(4,4,4-trifluorobutyl)oxane-4-carboxamide

C10H17F3N2O2 — CID 113327474

IUPAC4-amino-N-(4,4,4-trifluorobutyl)oxane-4-carboxamide
SMILESNC1(C(=O)NCCCC(F)(F)F)CCOCC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)2-1-5-15-8(16)9(14)3-6-17-7-4-9/h1-7,14H2,(H,15,16)
InChIKeySQNBFZDYWGVISL-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.95
Rot. Bonds4

About 4-amino-N-(4,4,4-trifluorobutyl)oxane-4-carboxamide

4-amino-N-(4,4,4-trifluorobutyl)oxane-4-carboxamide (PubChem CID 113327474) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-amino-N-(4,4,4-trifluorobutyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4,4,4-trifluorobutyl)oxane-4-carboxamide
PubChem CID113327474
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name4-amino-N-(4,4,4-trifluorobutyl)oxane-4-carboxamide
SMILESNC1(C(=O)NCCCC(F)(F)F)CCOCC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)2-1-5-15-8(16)9(14)3-6-17-7-4-9/h1-7,14H2,(H,15,16)
InChIKeySQNBFZDYWGVISL-UHFFFAOYSA-N
XLogP0.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4,4,4-trifluorobutyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(4,4,4-trifluorobutyl)oxane-4-carboxamide (CID 113327474) is 4-amino-N-(4,4,4-trifluorobutyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(4,4,4-trifluorobutyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(4,4,4-trifluorobutyl)oxane-4-carboxamide is NC1(C(=O)NCCCC(F)(F)F)CCOCC1.
What is the InChIKey of 4-amino-N-(4,4,4-trifluorobutyl)oxane-4-carboxamide?
The InChIKey is SQNBFZDYWGVISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)2-1-5-15-8(16)9(14)3-6-17-7-4-9/h1-7,14H2,(H,15,16).
What are the key properties of 4-amino-N-(4,4,4-trifluorobutyl)oxane-4-carboxamide?
4-amino-N-(4,4,4-trifluorobutyl)oxane-4-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4,4,4-trifluorobutyl)oxane-4-carboxamide is sourced from PubChem (CID 113327474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).