2,2,2-trifluoro-N-(1-formyl-5-methyl-3,6-dihydro-2H-pyridin-6-yl)acetamide

C9H11F3N2O2 — CID 167149854

IUPAC2,2,2-trifluoro-N-(1-formyl-5-methyl-3,6-dihydro-2H-pyridin-6-yl)acetamide
SMILESCC1=CCCN(C=O)C1NC(=O)C(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c1-6-3-2-4-14(5-15)7(6)13-8(16)9(10,11)12/h3,5,7H,2,4H2,1H3,(H,13,16)
InChIKeyZUQIPKXXHIKCBL-UHFFFAOYSA-N
MW236.19 g/mol
LogP0.80
Rot. Bonds2

About 2,2,2-trifluoro-N-(1-formyl-5-methyl-3,6-dihydro-2H-pyridin-6-yl)acetamide

2,2,2-trifluoro-N-(1-formyl-5-methyl-3,6-dihydro-2H-pyridin-6-yl)acetamide (PubChem CID 167149854) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-formyl-5-methyl-3,6-dihydro-2H-pyridin-6-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-formyl-5-methyl-3,6-dihydro-2H-pyridin-6-yl)acetamide
PubChem CID167149854
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name2,2,2-trifluoro-N-(1-formyl-5-methyl-3,6-dihydro-2H-pyridin-6-yl)acetamide
SMILESCC1=CCCN(C=O)C1NC(=O)C(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c1-6-3-2-4-14(5-15)7(6)13-8(16)9(10,11)12/h3,5,7H,2,4H2,1H3,(H,13,16)
InChIKeyZUQIPKXXHIKCBL-UHFFFAOYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 97244760
CID 97244760
CID 106313532
CID 106313532
CID 115766536
CID 115766536
CID 115769484
CID 115769484
CID 115769487
CID 115769487

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-formyl-5-methyl-3,6-dihydro-2H-pyridin-6-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-formyl-5-methyl-3,6-dihydro-2H-pyridin-6-yl)acetamide (CID 167149854) is 2,2,2-trifluoro-N-(1-formyl-5-methyl-3,6-dihydro-2H-pyridin-6-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-formyl-5-methyl-3,6-dihydro-2H-pyridin-6-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-formyl-5-methyl-3,6-dihydro-2H-pyridin-6-yl)acetamide is CC1=CCCN(C=O)C1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1-formyl-5-methyl-3,6-dihydro-2H-pyridin-6-yl)acetamide?
The InChIKey is ZUQIPKXXHIKCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-6-3-2-4-14(5-15)7(6)13-8(16)9(10,11)12/h3,5,7H,2,4H2,1H3,(H,13,16).
What are the key properties of 2,2,2-trifluoro-N-(1-formyl-5-methyl-3,6-dihydro-2H-pyridin-6-yl)acetamide?
2,2,2-trifluoro-N-(1-formyl-5-methyl-3,6-dihydro-2H-pyridin-6-yl)acetamide has a molecular weight of 236.19 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-formyl-5-methyl-3,6-dihydro-2H-pyridin-6-yl)acetamide is sourced from PubChem (CID 167149854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).