2-amino-N-butyl-N-(2,2,2-trifluoroethyl)hexanamide

C12H23F3N2O — CID 54871255

IUPAC2-amino-N-butyl-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCCCCC(N)C(=O)N(CCCC)CC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-3-5-7-10(16)11(18)17(8-6-4-2)9-12(13,14)15/h10H,3-9,16H2,1-2H3
InChIKeyZMRZMXRJAKCUKR-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.69
Rot. Bonds8

About 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)hexanamide

2-amino-N-butyl-N-(2,2,2-trifluoroethyl)hexanamide (PubChem CID 54871255) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-butyl-N-(2,2,2-trifluoroethyl)hexanamide
PubChem CID54871255
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name2-amino-N-butyl-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCCCCC(N)C(=O)N(CCCC)CC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-3-5-7-10(16)11(18)17(8-6-4-2)9-12(13,14)15/h10H,3-9,16H2,1-2H3
InChIKeyZMRZMXRJAKCUKR-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)hexanamide?
The IUPAC name of 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)hexanamide (CID 54871255) is 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)hexanamide.
What is the SMILES notation for 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)hexanamide?
The canonical SMILES for 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)hexanamide is CCCCC(N)C(=O)N(CCCC)CC(F)(F)F.
What is the InChIKey of 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)hexanamide?
The InChIKey is ZMRZMXRJAKCUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-3-5-7-10(16)11(18)17(8-6-4-2)9-12(13,14)15/h10H,3-9,16H2,1-2H3.
What are the key properties of 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)hexanamide?
2-amino-N-butyl-N-(2,2,2-trifluoroethyl)hexanamide has a molecular weight of 268.32 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)hexanamide is sourced from PubChem (CID 54871255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).