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

C12H20F3NO2 — CID 78884118

IUPACN-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CCOCC1
InChIInChI=1S/C12H20F3NO2/c1-2-3-6-16(9-12(13,14)15)11(17)10-4-7-18-8-5-10/h10H,2-9H2,1H3
InChIKeySEUCWPUTTMKYDJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.60
Rot. Bonds5

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

N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide (PubChem CID 78884118) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
PubChem CID78884118
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CCOCC1
InChIInChI=1S/C12H20F3NO2/c1-2-3-6-16(9-12(13,14)15)11(17)10-4-7-18-8-5-10/h10H,2-9H2,1H3
InChIKeySEUCWPUTTMKYDJ-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide (CID 78884118) is N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide.
What is the SMILES notation for N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The canonical SMILES for N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1CCOCC1.
What is the InChIKey of N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The InChIKey is SEUCWPUTTMKYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-2-3-6-16(9-12(13,14)15)11(17)10-4-7-18-8-5-10/h10H,2-9H2,1H3.
What are the key properties of N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide is sourced from PubChem (CID 78884118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).