2,2,2-trifluoro-N-(4-fluoro-3-methylidenecyclohexyl)acetamide

C9H11F4NO — CID 162562167

IUPAC2,2,2-trifluoro-N-(4-fluoro-3-methylidenecyclohexyl)acetamide
SMILESC=C1CC(NC(=O)C(F)(F)F)CCC1F
InChIInChI=1S/C9H11F4NO/c1-5-4-6(2-3-7(5)10)14-8(15)9(11,12)13/h6-7H,1-4H2,(H,14,15)
InChIKeyRWCXXRMJYMJNOY-UHFFFAOYSA-N
MW225.18 g/mol
LogP2.11
Rot. Bonds1

About 2,2,2-trifluoro-N-(4-fluoro-3-methylidenecyclohexyl)acetamide

2,2,2-trifluoro-N-(4-fluoro-3-methylidenecyclohexyl)acetamide (PubChem CID 162562167) has the molecular formula C9H11F4NO and a molecular weight of 225.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-fluoro-3-methylidenecyclohexyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-fluoro-3-methylidenecyclohexyl)acetamide
PubChem CID162562167
Molecular FormulaC9H11F4NO
Molecular Weight225.18 g/mol
Exact Mass225.08
IUPAC Name2,2,2-trifluoro-N-(4-fluoro-3-methylidenecyclohexyl)acetamide
SMILESC=C1CC(NC(=O)C(F)(F)F)CCC1F
InChIInChI=1S/C9H11F4NO/c1-5-4-6(2-3-7(5)10)14-8(15)9(11,12)13/h6-7H,1-4H2,(H,14,15)
InChIKeyRWCXXRMJYMJNOY-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 52.11
H-Bond Donors ≤ 51
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-(4-fluoro-3-methylidenecyclohexyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-fluoro-3-methylidenecyclohexyl)acetamide (CID 162562167) is 2,2,2-trifluoro-N-(4-fluoro-3-methylidenecyclohexyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-fluoro-3-methylidenecyclohexyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-fluoro-3-methylidenecyclohexyl)acetamide is C=C1CC(NC(=O)C(F)(F)F)CCC1F.
What is the InChIKey of 2,2,2-trifluoro-N-(4-fluoro-3-methylidenecyclohexyl)acetamide?
The InChIKey is RWCXXRMJYMJNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4NO/c1-5-4-6(2-3-7(5)10)14-8(15)9(11,12)13/h6-7H,1-4H2,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-(4-fluoro-3-methylidenecyclohexyl)acetamide?
2,2,2-trifluoro-N-(4-fluoro-3-methylidenecyclohexyl)acetamide has a molecular weight of 225.18 g/mol, XLogP of 2.11, 1 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-fluoro-3-methylidenecyclohexyl)acetamide is sourced from PubChem (CID 162562167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).