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

C10H18F3NO — CID 62111088

IUPACN-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]ethanamine
SMILESCCNCC1(OCC(F)(F)F)CCCC1
InChIInChI=1S/C10H18F3NO/c1-2-14-7-9(5-3-4-6-9)15-8-10(11,12)13/h14H,2-8H2,1H3
InChIKeyPBIFVJZRFYSKOV-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.49
Rot. Bonds5

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

N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]ethanamine (PubChem CID 62111088) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]ethanamine
PubChem CID62111088
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]ethanamine
SMILESCCNCC1(OCC(F)(F)F)CCCC1
InChIInChI=1S/C10H18F3NO/c1-2-14-7-9(5-3-4-6-9)15-8-10(11,12)13/h14H,2-8H2,1H3
InChIKeyPBIFVJZRFYSKOV-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.49
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]ethanamine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]ethanamine (CID 62111088) is N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]ethanamine is CCNCC1(OCC(F)(F)F)CCCC1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]ethanamine?
The InChIKey is PBIFVJZRFYSKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-2-14-7-9(5-3-4-6-9)15-8-10(11,12)13/h14H,2-8H2,1H3.
What are the key properties of N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]ethanamine?
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]ethanamine has a molecular weight of 225.25 g/mol, XLogP of 2.49, 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]ethanamine is sourced from PubChem (CID 62111088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).