N-[cyano(cyclopropyl)methyl]-3,3,3-trifluoropropanamide

C8H9F3N2O — CID 63821426

IUPACN-[cyano(cyclopropyl)methyl]-3,3,3-trifluoropropanamide
SMILESN#CC(NC(=O)CC(F)(F)F)C1CC1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)3-7(14)13-6(4-12)5-1-2-5/h5-6H,1-3H2,(H,13,14)
InChIKeySDEKAFWFPAVUNA-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.36
Rot. Bonds3

About N-[cyano(cyclopropyl)methyl]-3,3,3-trifluoropropanamide

N-[cyano(cyclopropyl)methyl]-3,3,3-trifluoropropanamide (PubChem CID 63821426) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is N-[cyano(cyclopropyl)methyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[cyano(cyclopropyl)methyl]-3,3,3-trifluoropropanamide
PubChem CID63821426
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC NameN-[cyano(cyclopropyl)methyl]-3,3,3-trifluoropropanamide
SMILESN#CC(NC(=O)CC(F)(F)F)C1CC1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)3-7(14)13-6(4-12)5-1-2-5/h5-6H,1-3H2,(H,13,14)
InChIKeySDEKAFWFPAVUNA-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 N-[cyano(cyclopropyl)methyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[cyano(cyclopropyl)methyl]-3,3,3-trifluoropropanamide (CID 63821426) is N-[cyano(cyclopropyl)methyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[cyano(cyclopropyl)methyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[cyano(cyclopropyl)methyl]-3,3,3-trifluoropropanamide is N#CC(NC(=O)CC(F)(F)F)C1CC1.
What is the InChIKey of N-[cyano(cyclopropyl)methyl]-3,3,3-trifluoropropanamide?
The InChIKey is SDEKAFWFPAVUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)3-7(14)13-6(4-12)5-1-2-5/h5-6H,1-3H2,(H,13,14).
What are the key properties of N-[cyano(cyclopropyl)methyl]-3,3,3-trifluoropropanamide?
N-[cyano(cyclopropyl)methyl]-3,3,3-trifluoropropanamide 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 N-[cyano(cyclopropyl)methyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 63821426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).