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

C9H12F3NO — CID 58902792

IUPAC2,2,2-trifluoro-N-(4-methylidenecyclohexyl)acetamide
SMILESC=C1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H12F3NO/c1-6-2-4-7(5-3-6)13-8(14)9(10,11)12/h7H,1-5H2,(H,13,14)
InChIKeySGBNVLJYZFXVEK-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.16
Rot. Bonds1

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

2,2,2-trifluoro-N-(4-methylidenecyclohexyl)acetamide (PubChem CID 58902792) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methylidenecyclohexyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methylidenecyclohexyl)acetamide
PubChem CID58902792
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name2,2,2-trifluoro-N-(4-methylidenecyclohexyl)acetamide
SMILESC=C1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H12F3NO/c1-6-2-4-7(5-3-6)13-8(14)9(10,11)12/h7H,1-5H2,(H,13,14)
InChIKeySGBNVLJYZFXVEK-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.16
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-methylidenecyclohexyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-methylidenecyclohexyl)acetamide (CID 58902792) is 2,2,2-trifluoro-N-(4-methylidenecyclohexyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methylidenecyclohexyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methylidenecyclohexyl)acetamide is C=C1CCC(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-(4-methylidenecyclohexyl)acetamide?
The InChIKey is SGBNVLJYZFXVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-6-2-4-7(5-3-6)13-8(14)9(10,11)12/h7H,1-5H2,(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-(4-methylidenecyclohexyl)acetamide?
2,2,2-trifluoro-N-(4-methylidenecyclohexyl)acetamide has a molecular weight of 207.19 g/mol, XLogP of 2.16, 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-methylidenecyclohexyl)acetamide is sourced from PubChem (CID 58902792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).