N-(oxan-4-yl)-2-(3,3,3-trifluoropropylamino)acetamide

C10H17F3N2O2 — CID 63226083

IUPACN-(oxan-4-yl)-2-(3,3,3-trifluoropropylamino)acetamide
SMILESO=C(CNCCC(F)(F)F)NC1CCOCC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)3-4-14-7-9(16)15-8-1-5-17-6-2-8/h8,14H,1-7H2,(H,15,16)
InChIKeySRBQAEQJBHFRRM-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.82
Rot. Bonds5

About N-(oxan-4-yl)-2-(3,3,3-trifluoropropylamino)acetamide

N-(oxan-4-yl)-2-(3,3,3-trifluoropropylamino)acetamide (PubChem CID 63226083) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-(3,3,3-trifluoropropylamino)acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-(3,3,3-trifluoropropylamino)acetamide
PubChem CID63226083
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-(oxan-4-yl)-2-(3,3,3-trifluoropropylamino)acetamide
SMILESO=C(CNCCC(F)(F)F)NC1CCOCC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)3-4-14-7-9(16)15-8-1-5-17-6-2-8/h8,14H,1-7H2,(H,15,16)
InChIKeySRBQAEQJBHFRRM-UHFFFAOYSA-N
XLogP0.82
TPSA50.36 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 ≤ 50.82
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 N-(oxan-4-yl)-2-(3,3,3-trifluoropropylamino)acetamide?
The IUPAC name of N-(oxan-4-yl)-2-(3,3,3-trifluoropropylamino)acetamide (CID 63226083) is N-(oxan-4-yl)-2-(3,3,3-trifluoropropylamino)acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-(3,3,3-trifluoropropylamino)acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-(3,3,3-trifluoropropylamino)acetamide is O=C(CNCCC(F)(F)F)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-(3,3,3-trifluoropropylamino)acetamide?
The InChIKey is SRBQAEQJBHFRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)3-4-14-7-9(16)15-8-1-5-17-6-2-8/h8,14H,1-7H2,(H,15,16).
What are the key properties of N-(oxan-4-yl)-2-(3,3,3-trifluoropropylamino)acetamide?
N-(oxan-4-yl)-2-(3,3,3-trifluoropropylamino)acetamide has a molecular weight of 254.25 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-(3,3,3-trifluoropropylamino)acetamide is sourced from PubChem (CID 63226083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).