N-(1-cyanocyclopentyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C10H10F6N2O — CID 103309833

IUPACN-(1-cyanocyclopentyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESN#CC1(NC(=O)C(C(F)(F)F)C(F)(F)F)CCCC1
InChIInChI=1S/C10H10F6N2O/c11-9(12,13)6(10(14,15)16)7(19)18-8(5-17)3-1-2-4-8/h6H,1-4H2,(H,18,19)
InChIKeyBVECXZVEABHJMH-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.68
Rot. Bonds2

About N-(1-cyanocyclopentyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-(1-cyanocyclopentyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103309833) has the molecular formula C10H10F6N2O and a molecular weight of 288.19 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103309833
Molecular FormulaC10H10F6N2O
Molecular Weight288.19 g/mol
Exact Mass288.07
IUPAC NameN-(1-cyanocyclopentyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESN#CC1(NC(=O)C(C(F)(F)F)C(F)(F)F)CCCC1
InChIInChI=1S/C10H10F6N2O/c11-9(12,13)6(10(14,15)16)7(19)18-8(5-17)3-1-2-4-8/h6H,1-4H2,(H,18,19)
InChIKeyBVECXZVEABHJMH-UHFFFAOYSA-N
XLogP2.68
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(1-cyanocyclopentyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103309833) is N-(1-cyanocyclopentyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is N#CC1(NC(=O)C(C(F)(F)F)C(F)(F)F)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is BVECXZVEABHJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6N2O/c11-9(12,13)6(10(14,15)16)7(19)18-8(5-17)3-1-2-4-8/h6H,1-4H2,(H,18,19).
What are the key properties of N-(1-cyanocyclopentyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-(1-cyanocyclopentyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 288.19 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103309833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).