N-(2,2-diethyloxan-4-yl)-2,2,3,3-tetrafluoropropanamide

C12H19F4NO2 — CID 103868600

IUPACN-(2,2-diethyloxan-4-yl)-2,2,3,3-tetrafluoropropanamide
SMILESCCC1(CC)CC(NC(=O)C(F)(F)C(F)F)CCO1
InChIInChI=1S/C12H19F4NO2/c1-3-11(4-2)7-8(5-6-19-11)17-10(18)12(15,16)9(13)14/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyRGXSICOQADULCO-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.74
Rot. Bonds5

About N-(2,2-diethyloxan-4-yl)-2,2,3,3-tetrafluoropropanamide

N-(2,2-diethyloxan-4-yl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103868600) has the molecular formula C12H19F4NO2 and a molecular weight of 285.28 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103868600
Molecular FormulaC12H19F4NO2
Molecular Weight285.28 g/mol
Exact Mass285.14
IUPAC NameN-(2,2-diethyloxan-4-yl)-2,2,3,3-tetrafluoropropanamide
SMILESCCC1(CC)CC(NC(=O)C(F)(F)C(F)F)CCO1
InChIInChI=1S/C12H19F4NO2/c1-3-11(4-2)7-8(5-6-19-11)17-10(18)12(15,16)9(13)14/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyRGXSICOQADULCO-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,2-diethyloxan-4-yl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-2,2,3,3-tetrafluoropropanamide (CID 103868600) is N-(2,2-diethyloxan-4-yl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-2,2,3,3-tetrafluoropropanamide is CCC1(CC)CC(NC(=O)C(F)(F)C(F)F)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is RGXSICOQADULCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F4NO2/c1-3-11(4-2)7-8(5-6-19-11)17-10(18)12(15,16)9(13)14/h8-9H,3-7H2,1-2H3,(H,17,18).
What are the key properties of N-(2,2-diethyloxan-4-yl)-2,2,3,3-tetrafluoropropanamide?
N-(2,2-diethyloxan-4-yl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 285.28 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103868600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).