2,2,2-trifluoro-N-methyl-N-(6-methylhept-5-en-2-yl)acetamide

C11H18F3NO — CID 121221428

IUPAC2,2,2-trifluoro-N-methyl-N-(6-methylhept-5-en-2-yl)acetamide
SMILESCC(C)=CCCC(C)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-8(2)6-5-7-9(3)15(4)10(16)11(12,13)14/h6,9H,5,7H2,1-4H3
InChIKeyLLWVQNWTCONJFK-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.14
Rot. Bonds4

About 2,2,2-trifluoro-N-methyl-N-(6-methylhept-5-en-2-yl)acetamide

2,2,2-trifluoro-N-methyl-N-(6-methylhept-5-en-2-yl)acetamide (PubChem CID 121221428) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(6-methylhept-5-en-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(6-methylhept-5-en-2-yl)acetamide
PubChem CID121221428
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name2,2,2-trifluoro-N-methyl-N-(6-methylhept-5-en-2-yl)acetamide
SMILESCC(C)=CCCC(C)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-8(2)6-5-7-9(3)15(4)10(16)11(12,13)14/h6,9H,5,7H2,1-4H3
InChIKeyLLWVQNWTCONJFK-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(6-methylhept-5-en-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(6-methylhept-5-en-2-yl)acetamide (CID 121221428) is 2,2,2-trifluoro-N-methyl-N-(6-methylhept-5-en-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(6-methylhept-5-en-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(6-methylhept-5-en-2-yl)acetamide is CC(C)=CCCC(C)N(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(6-methylhept-5-en-2-yl)acetamide?
The InChIKey is LLWVQNWTCONJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-8(2)6-5-7-9(3)15(4)10(16)11(12,13)14/h6,9H,5,7H2,1-4H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(6-methylhept-5-en-2-yl)acetamide?
2,2,2-trifluoro-N-methyl-N-(6-methylhept-5-en-2-yl)acetamide has a molecular weight of 237.26 g/mol, XLogP of 3.14, 4 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-methyl-N-(6-methylhept-5-en-2-yl)acetamide is sourced from PubChem (CID 121221428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).