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

C10H16F4N2O2 — CID 106291923

IUPACN-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide
SMILESO=C(CNCC(F)(F)C(F)F)NC1CCOCC1
InChIInChI=1S/C10H16F4N2O2/c11-9(12)10(13,14)6-15-5-8(17)16-7-1-3-18-4-2-7/h7,9,15H,1-6H2,(H,16,17)
InChIKeyVZBQFNWVYZWCGP-UHFFFAOYSA-N
MW272.24 g/mol
LogP0.77
Rot. Bonds6

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

N-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide (PubChem CID 106291923) has the molecular formula C10H16F4N2O2 and a molecular weight of 272.24 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide
PubChem CID106291923
Molecular FormulaC10H16F4N2O2
Molecular Weight272.24 g/mol
Exact Mass272.11
IUPAC NameN-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide
SMILESO=C(CNCC(F)(F)C(F)F)NC1CCOCC1
InChIInChI=1S/C10H16F4N2O2/c11-9(12)10(13,14)6-15-5-8(17)16-7-1-3-18-4-2-7/h7,9,15H,1-6H2,(H,16,17)
InChIKeyVZBQFNWVYZWCGP-UHFFFAOYSA-N
XLogP0.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide?
The IUPAC name of N-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide (CID 106291923) is N-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide is O=C(CNCC(F)(F)C(F)F)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide?
The InChIKey is VZBQFNWVYZWCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N2O2/c11-9(12)10(13,14)6-15-5-8(17)16-7-1-3-18-4-2-7/h7,9,15H,1-6H2,(H,16,17).
What are the key properties of N-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide?
N-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide has a molecular weight of 272.24 g/mol, XLogP of 0.77, 6 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-(2,2,3,3-tetrafluoropropylamino)acetamide is sourced from PubChem (CID 106291923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).