2,4,5-trimethyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxolane-3-carboxamide

C12H16F7NO2 — CID 167888454

IUPAC2,4,5-trimethyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)C1C
InChIInChI=1S/C12H16F7NO2/c1-5-6(2)22-7(3)8(5)9(21)20-4-10(13,11(14,15)16)12(17,18)19/h5-8H,4H2,1-3H3,(H,20,21)
InChIKeyRSFKASDIVNHQBQ-UHFFFAOYSA-N
MW339.25 g/mol
LogP2.99
Rot. Bonds3

About 2,4,5-trimethyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxolane-3-carboxamide

2,4,5-trimethyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxolane-3-carboxamide (PubChem CID 167888454) has the molecular formula C12H16F7NO2 and a molecular weight of 339.25 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxolane-3-carboxamide
PubChem CID167888454
Molecular FormulaC12H16F7NO2
Molecular Weight339.25 g/mol
Exact Mass339.11
IUPAC Name2,4,5-trimethyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)C1C
InChIInChI=1S/C12H16F7NO2/c1-5-6(2)22-7(3)8(5)9(21)20-4-10(13,11(14,15)16)12(17,18)19/h5-8H,4H2,1-3H3,(H,20,21)
InChIKeyRSFKASDIVNHQBQ-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxolane-3-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxolane-3-carboxamide (CID 167888454) is 2,4,5-trimethyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxolane-3-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxolane-3-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxolane-3-carboxamide is CC1OC(C)C(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)C1C.
What is the InChIKey of 2,4,5-trimethyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxolane-3-carboxamide?
The InChIKey is RSFKASDIVNHQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F7NO2/c1-5-6(2)22-7(3)8(5)9(21)20-4-10(13,11(14,15)16)12(17,18)19/h5-8H,4H2,1-3H3,(H,20,21).
What are the key properties of 2,4,5-trimethyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxolane-3-carboxamide?
2,4,5-trimethyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxolane-3-carboxamide has a molecular weight of 339.25 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxolane-3-carboxamide is sourced from PubChem (CID 167888454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).