2,2,2-trifluoro-N-(2-fluoro-5-propylcyclohex-2-en-1-yl)acetamide

C11H15F4NO — CID 162565657

IUPAC2,2,2-trifluoro-N-(2-fluoro-5-propylcyclohex-2-en-1-yl)acetamide
SMILESCCCC1CC=C(F)C(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C11H15F4NO/c1-2-3-7-4-5-8(12)9(6-7)16-10(17)11(13,14)15/h5,7,9H,2-4,6H2,1H3,(H,16,17)
InChIKeyBPKJLGCGRGQWBH-UHFFFAOYSA-N
MW253.24 g/mol
LogP3.10
Rot. Bonds3

About 2,2,2-trifluoro-N-(2-fluoro-5-propylcyclohex-2-en-1-yl)acetamide

2,2,2-trifluoro-N-(2-fluoro-5-propylcyclohex-2-en-1-yl)acetamide (PubChem CID 162565657) has the molecular formula C11H15F4NO and a molecular weight of 253.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-fluoro-5-propylcyclohex-2-en-1-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-fluoro-5-propylcyclohex-2-en-1-yl)acetamide
PubChem CID162565657
Molecular FormulaC11H15F4NO
Molecular Weight253.24 g/mol
Exact Mass253.11
IUPAC Name2,2,2-trifluoro-N-(2-fluoro-5-propylcyclohex-2-en-1-yl)acetamide
SMILESCCCC1CC=C(F)C(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C11H15F4NO/c1-2-3-7-4-5-8(12)9(6-7)16-10(17)11(13,14)15/h5,7,9H,2-4,6H2,1H3,(H,16,17)
InChIKeyBPKJLGCGRGQWBH-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-fluoro-5-propylcyclohex-2-en-1-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-fluoro-5-propylcyclohex-2-en-1-yl)acetamide (CID 162565657) is 2,2,2-trifluoro-N-(2-fluoro-5-propylcyclohex-2-en-1-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-fluoro-5-propylcyclohex-2-en-1-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-fluoro-5-propylcyclohex-2-en-1-yl)acetamide is CCCC1CC=C(F)C(NC(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-(2-fluoro-5-propylcyclohex-2-en-1-yl)acetamide?
The InChIKey is BPKJLGCGRGQWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4NO/c1-2-3-7-4-5-8(12)9(6-7)16-10(17)11(13,14)15/h5,7,9H,2-4,6H2,1H3,(H,16,17).
What are the key properties of 2,2,2-trifluoro-N-(2-fluoro-5-propylcyclohex-2-en-1-yl)acetamide?
2,2,2-trifluoro-N-(2-fluoro-5-propylcyclohex-2-en-1-yl)acetamide has a molecular weight of 253.24 g/mol, XLogP of 3.10, 3 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-(2-fluoro-5-propylcyclohex-2-en-1-yl)acetamide is sourced from PubChem (CID 162565657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).