2,2,2-trifluoro-N,N-dipentylacetamide

C12H22F3NO — CID 587667

IUPAC2,2,2-trifluoro-N,N-dipentylacetamide
SMILESCCCCCN(CCCCC)C(=O)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-3-5-7-9-16(10-8-6-4-2)11(17)12(13,14)15/h3-10H2,1-2H3
InChIKeyALWZXAQJDOODSW-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.76
Rot. Bonds8

About 2,2,2-trifluoro-N,N-dipentylacetamide

2,2,2-trifluoro-N,N-dipentylacetamide (PubChem CID 587667) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N,N-dipentylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N,N-dipentylacetamide
PubChem CID587667
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2,2,2-trifluoro-N,N-dipentylacetamide
SMILESCCCCCN(CCCCC)C(=O)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-3-5-7-9-16(10-8-6-4-2)11(17)12(13,14)15/h3-10H2,1-2H3
InChIKeyALWZXAQJDOODSW-UHFFFAOYSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.76
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-dipentylacetamide?
The IUPAC name of 2,2,2-trifluoro-N,N-dipentylacetamide (CID 587667) is 2,2,2-trifluoro-N,N-dipentylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N,N-dipentylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N,N-dipentylacetamide is CCCCCN(CCCCC)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N,N-dipentylacetamide?
The InChIKey is ALWZXAQJDOODSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-3-5-7-9-16(10-8-6-4-2)11(17)12(13,14)15/h3-10H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N,N-dipentylacetamide?
2,2,2-trifluoro-N,N-dipentylacetamide has a molecular weight of 253.31 g/mol, XLogP of 3.76, 8 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-dipentylacetamide is sourced from PubChem (CID 587667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).