2,2,2-trifluoro-N-(4-methylpentyl)acetamide

C8H14F3NO — CID 62727488

IUPAC2,2,2-trifluoro-N-(4-methylpentyl)acetamide
SMILESCC(C)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6(2)4-3-5-12-7(13)8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyOCQSBHSVEGTKOV-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.10
Rot. Bonds4

About 2,2,2-trifluoro-N-(4-methylpentyl)acetamide

2,2,2-trifluoro-N-(4-methylpentyl)acetamide (PubChem CID 62727488) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methylpentyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methylpentyl)acetamide
PubChem CID62727488
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2,2,2-trifluoro-N-(4-methylpentyl)acetamide
SMILESCC(C)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6(2)4-3-5-12-7(13)8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyOCQSBHSVEGTKOV-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.10
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-(4-methylpentyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-methylpentyl)acetamide (CID 62727488) is 2,2,2-trifluoro-N-(4-methylpentyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methylpentyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methylpentyl)acetamide is CC(C)CCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4-methylpentyl)acetamide?
The InChIKey is OCQSBHSVEGTKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6(2)4-3-5-12-7(13)8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-(4-methylpentyl)acetamide?
2,2,2-trifluoro-N-(4-methylpentyl)acetamide has a molecular weight of 197.20 g/mol, XLogP of 2.10, 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-(4-methylpentyl)acetamide is sourced from PubChem (CID 62727488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).