2-cyano-N-[1-(trifluoromethyl)cyclopropyl]acetamide

C7H7F3N2O — CID 106213490

IUPAC2-cyano-N-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESN#CCC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6(2-3-6)12-5(13)1-4-11/h1-3H2,(H,12,13)
InChIKeySBRSQYGQUPADFJ-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.11
Rot. Bonds2

About 2-cyano-N-[1-(trifluoromethyl)cyclopropyl]acetamide

2-cyano-N-[1-(trifluoromethyl)cyclopropyl]acetamide (PubChem CID 106213490) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 2-cyano-N-[1-(trifluoromethyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[1-(trifluoromethyl)cyclopropyl]acetamide
PubChem CID106213490
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name2-cyano-N-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESN#CCC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6(2-3-6)12-5(13)1-4-11/h1-3H2,(H,12,13)
InChIKeySBRSQYGQUPADFJ-UHFFFAOYSA-N
XLogP1.11
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyano-N-[1-(trifluoromethyl)cyclopropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The IUPAC name of 2-cyano-N-[1-(trifluoromethyl)cyclopropyl]acetamide (CID 106213490) is 2-cyano-N-[1-(trifluoromethyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-cyano-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The canonical SMILES for 2-cyano-N-[1-(trifluoromethyl)cyclopropyl]acetamide is N#CCC(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 2-cyano-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The InChIKey is SBRSQYGQUPADFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)6(2-3-6)12-5(13)1-4-11/h1-3H2,(H,12,13).
What are the key properties of 2-cyano-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
2-cyano-N-[1-(trifluoromethyl)cyclopropyl]acetamide has a molecular weight of 192.14 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(trifluoromethyl)cyclopropyl]acetamide is sourced from PubChem (CID 106213490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).