N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]cyclopropanamine

C13H22F3NO — CID 62726209

IUPACN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]cyclopropanamine
SMILESFC(F)(F)COCCC1(CNC2CC2)CCCC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)10-18-8-7-12(5-1-2-6-12)9-17-11-3-4-11/h11,17H,1-10H2
InChIKeyGJLVHVWQRXOQST-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.27
Rot. Bonds7

About N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]cyclopropanamine

N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]cyclopropanamine (PubChem CID 62726209) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]cyclopropanamine
PubChem CID62726209
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]cyclopropanamine
SMILESFC(F)(F)COCCC1(CNC2CC2)CCCC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)10-18-8-7-12(5-1-2-6-12)9-17-11-3-4-11/h11,17H,1-10H2
InChIKeyGJLVHVWQRXOQST-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
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 N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]cyclopropanamine (CID 62726209) is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]cyclopropanamine is FC(F)(F)COCCC1(CNC2CC2)CCCC1.
What is the InChIKey of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]cyclopropanamine?
The InChIKey is GJLVHVWQRXOQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)10-18-8-7-12(5-1-2-6-12)9-17-11-3-4-11/h11,17H,1-10H2.
What are the key properties of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]cyclopropanamine?
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]cyclopropanamine has a molecular weight of 265.32 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 62726209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).