N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide

C12H20F3NO2 — CID 78882905

IUPACN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C1CCOCC1
InChIInChI=1S/C12H20F3NO2/c1-9(2)7-16(8-12(13,14)15)11(17)10-3-5-18-6-4-10/h9-10H,3-8H2,1-2H3
InChIKeyNKBBGGVENOAKEG-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.46
Rot. Bonds4

About N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide

N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide (PubChem CID 78882905) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
PubChem CID78882905
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C1CCOCC1
InChIInChI=1S/C12H20F3NO2/c1-9(2)7-16(8-12(13,14)15)11(17)10-3-5-18-6-4-10/h9-10H,3-8H2,1-2H3
InChIKeyNKBBGGVENOAKEG-UHFFFAOYSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide (CID 78882905) is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide is CC(C)CN(CC(F)(F)F)C(=O)C1CCOCC1.
What is the InChIKey of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The InChIKey is NKBBGGVENOAKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-9(2)7-16(8-12(13,14)15)11(17)10-3-5-18-6-4-10/h9-10H,3-8H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide is sourced from PubChem (CID 78882905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).