2,2,2-trifluoro-N,N-dihexylacetamide

C14H26F3NO — CID 3536077

IUPAC2,2,2-trifluoro-N,N-dihexylacetamide
SMILESCCCCCCN(CCCCCC)C(=O)C(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-3-5-7-9-11-18(12-10-8-6-4-2)13(19)14(15,16)17/h3-12H2,1-2H3
InChIKeyATHNUNRGHRESQR-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.54
Rot. Bonds10

About 2,2,2-trifluoro-N,N-dihexylacetamide

2,2,2-trifluoro-N,N-dihexylacetamide (PubChem CID 3536077) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-N,N-dihexylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N,N-dihexylacetamide
PubChem CID3536077
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name2,2,2-trifluoro-N,N-dihexylacetamide
SMILESCCCCCCN(CCCCCC)C(=O)C(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-3-5-7-9-11-18(12-10-8-6-4-2)13(19)14(15,16)17/h3-12H2,1-2H3
InChIKeyATHNUNRGHRESQR-UHFFFAOYSA-N
XLogP4.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.54
H-Bond Donors ≤ 50
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 2,2,2-trifluoro-N,N-dihexylacetamide?
The IUPAC name of 2,2,2-trifluoro-N,N-dihexylacetamide (CID 3536077) is 2,2,2-trifluoro-N,N-dihexylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N,N-dihexylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N,N-dihexylacetamide is CCCCCCN(CCCCCC)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N,N-dihexylacetamide?
The InChIKey is ATHNUNRGHRESQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-3-5-7-9-11-18(12-10-8-6-4-2)13(19)14(15,16)17/h3-12H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N,N-dihexylacetamide?
2,2,2-trifluoro-N,N-dihexylacetamide has a molecular weight of 281.36 g/mol, XLogP of 4.54, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N,N-dihexylacetamide is sourced from PubChem (CID 3536077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).