N'-cyclopentyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine

C12H23F3N2O — CID 54962210

IUPACN'-cyclopentyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
SMILESNCCCN(CCOCC(F)(F)F)C1CCCC1
InChIInChI=1S/C12H23F3N2O/c13-12(14,15)10-18-9-8-17(7-3-6-16)11-4-1-2-5-11/h11H,1-10,16H2
InChIKeyAKFUQGDFVHEIMG-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.16
Rot. Bonds8

About N'-cyclopentyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine

N'-cyclopentyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine (PubChem CID 54962210) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N'-cyclopentyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
PubChem CID54962210
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN'-cyclopentyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
SMILESNCCCN(CCOCC(F)(F)F)C1CCCC1
InChIInChI=1S/C12H23F3N2O/c13-12(14,15)10-18-9-8-17(7-3-6-16)11-4-1-2-5-11/h11H,1-10,16H2
InChIKeyAKFUQGDFVHEIMG-UHFFFAOYSA-N
XLogP2.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.16
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 N'-cyclopentyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine?
The IUPAC name of N'-cyclopentyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine (CID 54962210) is N'-cyclopentyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclopentyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine is NCCCN(CCOCC(F)(F)F)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine?
The InChIKey is AKFUQGDFVHEIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c13-12(14,15)10-18-9-8-17(7-3-6-16)11-4-1-2-5-11/h11H,1-10,16H2.
What are the key properties of N'-cyclopentyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine?
N'-cyclopentyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine has a molecular weight of 268.32 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine is sourced from PubChem (CID 54962210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).