N-(1-cyanocyclopentyl)-3,3,3-trifluoropropanamide

C9H11F3N2O — CID 60731314

IUPACN-(1-cyanocyclopentyl)-3,3,3-trifluoropropanamide
SMILESN#CC1(NC(=O)CC(F)(F)F)CCCC1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)5-7(15)14-8(6-13)3-1-2-4-8/h1-5H2,(H,14,15)
InChIKeyHXSQFHDSLAOSIY-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.89
Rot. Bonds2

About N-(1-cyanocyclopentyl)-3,3,3-trifluoropropanamide

N-(1-cyanocyclopentyl)-3,3,3-trifluoropropanamide (PubChem CID 60731314) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-3,3,3-trifluoropropanamide
PubChem CID60731314
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC NameN-(1-cyanocyclopentyl)-3,3,3-trifluoropropanamide
SMILESN#CC1(NC(=O)CC(F)(F)F)CCCC1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)5-7(15)14-8(6-13)3-1-2-4-8/h1-5H2,(H,14,15)
InChIKeyHXSQFHDSLAOSIY-UHFFFAOYSA-N
XLogP1.89
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.89
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-trifluoropropanamide?
The IUPAC name of N-(1-cyanocyclopentyl)-3,3,3-trifluoropropanamide (CID 60731314) is N-(1-cyanocyclopentyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-3,3,3-trifluoropropanamide is N#CC1(NC(=O)CC(F)(F)F)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-3,3,3-trifluoropropanamide?
The InChIKey is HXSQFHDSLAOSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)5-7(15)14-8(6-13)3-1-2-4-8/h1-5H2,(H,14,15).
What are the key properties of N-(1-cyanocyclopentyl)-3,3,3-trifluoropropanamide?
N-(1-cyanocyclopentyl)-3,3,3-trifluoropropanamide has a molecular weight of 220.19 g/mol, XLogP of 1.89, 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-trifluoropropanamide is sourced from PubChem (CID 60731314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).