2,2,2-trifluoro-N-pentylacetamide

C7H12F3NO — CID 580920

IUPAC2,2,2-trifluoro-N-pentylacetamide
SMILESCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-2-3-4-5-11-6(12)7(8,9)10/h2-5H2,1H3,(H,11,12)
InChIKeyRMWWLGNPNBPNDO-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.86
Rot. Bonds4

About 2,2,2-trifluoro-N-pentylacetamide

2,2,2-trifluoro-N-pentylacetamide (PubChem CID 580920) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-pentylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-pentylacetamide
PubChem CID580920
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name2,2,2-trifluoro-N-pentylacetamide
SMILESCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-2-3-4-5-11-6(12)7(8,9)10/h2-5H2,1H3,(H,11,12)
InChIKeyRMWWLGNPNBPNDO-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.86
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 2,2,2-trifluoro-N-pentylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-pentylacetamide (CID 580920) is 2,2,2-trifluoro-N-pentylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-pentylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-pentylacetamide is CCCCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-pentylacetamide?
The InChIKey is RMWWLGNPNBPNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-2-3-4-5-11-6(12)7(8,9)10/h2-5H2,1H3,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-pentylacetamide?
2,2,2-trifluoro-N-pentylacetamide has a molecular weight of 183.17 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-pentylacetamide is sourced from PubChem (CID 580920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).