2-[[cyclopropyl(propyl)amino]methyl]-3,3,3-trifluoropropanenitrile

C10H15F3N2 — CID 103367707

IUPAC2-[[cyclopropyl(propyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCCCN(CC(C#N)C(F)(F)F)C1CC1
InChIInChI=1S/C10H15F3N2/c1-2-5-15(9-3-4-9)7-8(6-14)10(11,12)13/h8-9H,2-5,7H2,1H3
InChIKeyXLFFOSVZQSDHJI-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.56
Rot. Bonds5

About 2-[[cyclopropyl(propyl)amino]methyl]-3,3,3-trifluoropropanenitrile

2-[[cyclopropyl(propyl)amino]methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103367707) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-[[cyclopropyl(propyl)amino]methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[[cyclopropyl(propyl)amino]methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103367707
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name2-[[cyclopropyl(propyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCCCN(CC(C#N)C(F)(F)F)C1CC1
InChIInChI=1S/C10H15F3N2/c1-2-5-15(9-3-4-9)7-8(6-14)10(11,12)13/h8-9H,2-5,7H2,1H3
InChIKeyXLFFOSVZQSDHJI-UHFFFAOYSA-N
XLogP2.56
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(propyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[[cyclopropyl(propyl)amino]methyl]-3,3,3-trifluoropropanenitrile (CID 103367707) is 2-[[cyclopropyl(propyl)amino]methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[[cyclopropyl(propyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[[cyclopropyl(propyl)amino]methyl]-3,3,3-trifluoropropanenitrile is CCCN(CC(C#N)C(F)(F)F)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(propyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is XLFFOSVZQSDHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-2-5-15(9-3-4-9)7-8(6-14)10(11,12)13/h8-9H,2-5,7H2,1H3.
What are the key properties of 2-[[cyclopropyl(propyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
2-[[cyclopropyl(propyl)amino]methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 220.24 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(propyl)amino]methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103367707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).