5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentanenitrile

C10H15F3N2 — CID 55206839

IUPAC5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentanenitrile
SMILESN#CCCCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H15F3N2/c11-10(12,13)8-15(9-4-5-9)7-3-1-2-6-14/h9H,1-5,7-8H2
InChIKeyCLQNOZVHFRQZER-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.71
Rot. Bonds6

About 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentanenitrile

5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentanenitrile (PubChem CID 55206839) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentanenitrile.

Molecular Properties

Compound Name5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentanenitrile
PubChem CID55206839
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentanenitrile
SMILESN#CCCCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H15F3N2/c11-10(12,13)8-15(9-4-5-9)7-3-1-2-6-14/h9H,1-5,7-8H2
InChIKeyCLQNOZVHFRQZER-UHFFFAOYSA-N
XLogP2.71
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentanenitrile?
The IUPAC name of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentanenitrile (CID 55206839) is 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentanenitrile.
What is the SMILES notation for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentanenitrile?
The canonical SMILES for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentanenitrile is N#CCCCCN(CC(F)(F)F)C1CC1.
What is the InChIKey of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentanenitrile?
The InChIKey is CLQNOZVHFRQZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c11-10(12,13)8-15(9-4-5-9)7-3-1-2-6-14/h9H,1-5,7-8H2.
What are the key properties of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentanenitrile?
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentanenitrile has a molecular weight of 220.24 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentanenitrile is sourced from PubChem (CID 55206839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).