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

C11H18F3NO — CID 62111091

IUPACN-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]cyclopropanamine
SMILESFC(F)(F)COC1(CNC2CC2)CCCC1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)8-16-10(5-1-2-6-10)7-15-9-3-4-9/h9,15H,1-8H2
InChIKeySSBRHVMQZZXIOY-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.63
Rot. Bonds5

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

N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]cyclopropanamine (PubChem CID 62111091) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]cyclopropanamine
PubChem CID62111091
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC NameN-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]cyclopropanamine
SMILESFC(F)(F)COC1(CNC2CC2)CCCC1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)8-16-10(5-1-2-6-10)7-15-9-3-4-9/h9,15H,1-8H2
InChIKeySSBRHVMQZZXIOY-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]cyclopropanamine (CID 62111091) is N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]cyclopropanamine is FC(F)(F)COC1(CNC2CC2)CCCC1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]cyclopropanamine?
The InChIKey is SSBRHVMQZZXIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)8-16-10(5-1-2-6-10)7-15-9-3-4-9/h9,15H,1-8H2.
What are the key properties of N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]cyclopropanamine?
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]cyclopropanamine has a molecular weight of 237.26 g/mol, XLogP of 2.63, 5 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-trifluoroethoxy)cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 62111091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).