N-dodecyl-2,2,2-trifluoroacetamide

C14H26F3NO — CID 611266

IUPACN-dodecyl-2,2,2-trifluoroacetamide
SMILESCCCCCCCCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-18-13(19)14(15,16)17/h2-12H2,1H3,(H,18,19)
InChIKeyGDHYSHGLRHWHDX-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.59
Rot. Bonds11

About N-dodecyl-2,2,2-trifluoroacetamide

N-dodecyl-2,2,2-trifluoroacetamide (PubChem CID 611266) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-dodecyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-dodecyl-2,2,2-trifluoroacetamide
PubChem CID611266
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-dodecyl-2,2,2-trifluoroacetamide
SMILESCCCCCCCCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-18-13(19)14(15,16)17/h2-12H2,1H3,(H,18,19)
InChIKeyGDHYSHGLRHWHDX-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-dodecyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-dodecyl-2,2,2-trifluoroacetamide (CID 611266) is N-dodecyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-dodecyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-dodecyl-2,2,2-trifluoroacetamide is CCCCCCCCCCCCNC(=O)C(F)(F)F.
What is the InChIKey of N-dodecyl-2,2,2-trifluoroacetamide?
The InChIKey is GDHYSHGLRHWHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-18-13(19)14(15,16)17/h2-12H2,1H3,(H,18,19).
What are the key properties of N-dodecyl-2,2,2-trifluoroacetamide?
N-dodecyl-2,2,2-trifluoroacetamide has a molecular weight of 281.36 g/mol, XLogP of 4.59, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 611266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).