2-ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C9H18F3NO — CID 62505913

IUPAC2-ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCC(CN)CCCOCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-2-8(6-13)4-3-5-14-7-9(10,11)12/h8H,2-7,13H2,1H3
InChIKeyZLQBAJPSWMKAMS-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.33
Rot. Bonds7

About 2-ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

2-ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 62505913) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound Name2-ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID62505913
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name2-ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCC(CN)CCCOCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-2-8(6-13)4-3-5-14-7-9(10,11)12/h8H,2-7,13H2,1H3
InChIKeyZLQBAJPSWMKAMS-UHFFFAOYSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.33
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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Related Compounds

1-[2-(2,2,2-Trifluoroethoxymethyl)cyclopropyl]ethanamine
CID 58629035
3-Ethyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentan-1-amine
CID 123300960
2-(2,6-Dimethyloxan-4-yl)-2-fluoroethanamine
CID 124157739
2-Propyl-1-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 146397104
3-(1,1-Difluoroethoxymethyl)-1-methoxyheptan-1-amine
CID 156450752
3-(2-Ethylhexoxy)-4,4,4-trifluorobutan-1-amine
CID 43753333
2-ethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083441
2-Methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490659
2-Methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 61491063
3-Methyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 61491064
3-Ethyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 61491286
3-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 62504677

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of 2-ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 62505913) is 2-ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for 2-ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for 2-ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CCC(CN)CCCOCC(F)(F)F.
What is the InChIKey of 2-ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is ZLQBAJPSWMKAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-2-8(6-13)4-3-5-14-7-9(10,11)12/h8H,2-7,13H2,1H3.
What are the key properties of 2-ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
2-ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 213.24 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 62505913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).