N-butan-2-yl-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide

C12H22F3NO2 — CID 78883098

IUPACN-butan-2-yl-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCCCN(C(=O)COCC(F)(F)F)C(C)CC
InChIInChI=1S/C12H22F3NO2/c1-4-6-7-16(10(3)5-2)11(17)8-18-9-12(13,14)15/h10H,4-9H2,1-3H3
InChIKeyIBCYDSHIJRPQCR-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.99
Rot. Bonds8

About N-butan-2-yl-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide

N-butan-2-yl-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 78883098) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID78883098
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC NameN-butan-2-yl-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCCCN(C(=O)COCC(F)(F)F)C(C)CC
InChIInChI=1S/C12H22F3NO2/c1-4-6-7-16(10(3)5-2)11(17)8-18-9-12(13,14)15/h10H,4-9H2,1-3H3
InChIKeyIBCYDSHIJRPQCR-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-butan-2-yl-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 78883098) is N-butan-2-yl-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-butan-2-yl-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-butan-2-yl-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide is CCCCN(C(=O)COCC(F)(F)F)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is IBCYDSHIJRPQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-4-6-7-16(10(3)5-2)11(17)8-18-9-12(13,14)15/h10H,4-9H2,1-3H3.
What are the key properties of N-butan-2-yl-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-butan-2-yl-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 269.31 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 78883098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).