2-cyano-N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide

C8H9F3N2O — CID 118690673

IUPAC2-cyano-N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide
SMILESN#CCC(=O)NC(C1CC1)C(F)(F)F
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)7(5-1-2-5)13-6(14)3-4-12/h5,7H,1-3H2,(H,13,14)
InChIKeyPXBLMTPDYZZOFE-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.36
Rot. Bonds3

About 2-cyano-N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide

2-cyano-N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide (PubChem CID 118690673) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 2-cyano-N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide
PubChem CID118690673
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name2-cyano-N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide
SMILESN#CCC(=O)NC(C1CC1)C(F)(F)F
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)7(5-1-2-5)13-6(14)3-4-12/h5,7H,1-3H2,(H,13,14)
InChIKeyPXBLMTPDYZZOFE-UHFFFAOYSA-N
XLogP1.36
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-cyano-N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide (CID 118690673) is 2-cyano-N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-cyano-N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-cyano-N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide is N#CCC(=O)NC(C1CC1)C(F)(F)F.
What is the InChIKey of 2-cyano-N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide?
The InChIKey is PXBLMTPDYZZOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)7(5-1-2-5)13-6(14)3-4-12/h5,7H,1-3H2,(H,13,14).
What are the key properties of 2-cyano-N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide?
2-cyano-N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide has a molecular weight of 206.17 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 118690673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).