2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentane-1-carbonitrile

C10H15F3N2O — CID 63828944

IUPAC2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NCCOCC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)7-16-5-4-15-9-3-1-2-8(9)6-14/h8-9,15H,1-5,7H2
InChIKeyICFJPNXNGWHMAG-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.85
Rot. Bonds5

About 2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentane-1-carbonitrile

2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentane-1-carbonitrile (PubChem CID 63828944) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentane-1-carbonitrile
PubChem CID63828944
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NCCOCC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)7-16-5-4-15-9-3-1-2-8(9)6-14/h8-9,15H,1-5,7H2
InChIKeyICFJPNXNGWHMAG-UHFFFAOYSA-N
XLogP1.85
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentane-1-carbonitrile (CID 63828944) is 2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentane-1-carbonitrile is N#CC1CCCC1NCCOCC(F)(F)F.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentane-1-carbonitrile?
The InChIKey is ICFJPNXNGWHMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c11-10(12,13)7-16-5-4-15-9-3-1-2-8(9)6-14/h8-9,15H,1-5,7H2.
What are the key properties of 2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentane-1-carbonitrile?
2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentane-1-carbonitrile has a molecular weight of 236.24 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 63828944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).