2,2,2-trifluoro-N-methyl-N-(4-methylhex-5-enyl)acetamide

C10H16F3NO — CID 121285481

IUPAC2,2,2-trifluoro-N-methyl-N-(4-methylhex-5-enyl)acetamide
SMILESC=CC(C)CCCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-4-8(2)6-5-7-14(3)9(15)10(11,12)13/h4,8H,1,5-7H2,2-3H3
InChIKeyWDDGHXCKRQWQIA-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.61
Rot. Bonds5

About 2,2,2-trifluoro-N-methyl-N-(4-methylhex-5-enyl)acetamide

2,2,2-trifluoro-N-methyl-N-(4-methylhex-5-enyl)acetamide (PubChem CID 121285481) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(4-methylhex-5-enyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(4-methylhex-5-enyl)acetamide
PubChem CID121285481
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name2,2,2-trifluoro-N-methyl-N-(4-methylhex-5-enyl)acetamide
SMILESC=CC(C)CCCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-4-8(2)6-5-7-14(3)9(15)10(11,12)13/h4,8H,1,5-7H2,2-3H3
InChIKeyWDDGHXCKRQWQIA-UHFFFAOYSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.61
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-(4-methylhex-5-enyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(4-methylhex-5-enyl)acetamide (CID 121285481) is 2,2,2-trifluoro-N-methyl-N-(4-methylhex-5-enyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(4-methylhex-5-enyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(4-methylhex-5-enyl)acetamide is C=CC(C)CCCN(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(4-methylhex-5-enyl)acetamide?
The InChIKey is WDDGHXCKRQWQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-4-8(2)6-5-7-14(3)9(15)10(11,12)13/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(4-methylhex-5-enyl)acetamide?
2,2,2-trifluoro-N-methyl-N-(4-methylhex-5-enyl)acetamide has a molecular weight of 223.24 g/mol, XLogP of 2.61, 5 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-(4-methylhex-5-enyl)acetamide is sourced from PubChem (CID 121285481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).