N-ethyl-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine

C6H10F5NO — CID 12046719

IUPACN-ethyl-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine
SMILESCCNCCOC(F)(F)C(F)(F)F
InChIInChI=1S/C6H10F5NO/c1-2-12-3-4-13-6(10,11)5(7,8)9/h12H,2-4H2,1H3
InChIKeyPUELQMKJKMKFBO-UHFFFAOYSA-N
MW207.14 g/mol
LogP1.77
Rot. Bonds5

About N-ethyl-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine

N-ethyl-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine (PubChem CID 12046719) has the molecular formula C6H10F5NO and a molecular weight of 207.14 g/mol. Its IUPAC name is N-ethyl-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine
PubChem CID12046719
Molecular FormulaC6H10F5NO
Molecular Weight207.14 g/mol
Exact Mass207.07
IUPAC NameN-ethyl-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine
SMILESCCNCCOC(F)(F)C(F)(F)F
InChIInChI=1S/C6H10F5NO/c1-2-12-3-4-13-6(10,11)5(7,8)9/h12H,2-4H2,1H3
InChIKeyPUELQMKJKMKFBO-UHFFFAOYSA-N
XLogP1.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.14
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(2-Ethoxyethyl)(ethyl)amine
CID 520890
(2-Methoxyethyl)(3,3,3-trifluoropropyl)amine
CID 59028600
N-Methyl-[2-(trifluoromethoxy)ethyl]amine hydrochloride
CID 117588089
2,2-Difluoromorpholine hydrochloride
CID 119056916
[2-(Difluoromethoxy)ethyl](methyl)amine hydrochloride
CID 138542985
(2-Methoxyethyl)(2,2,2-trifluoroethyl)amine hydrochloride
CID 47002376
(2,2-Difluoroethyl)(2-methoxyethyl)amine hydrochloride
CID 47003170
Bis[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]amine hydrochloride
CID 121233919
(2-Methoxy-ethyl)-(2,2,2-trifluoro-ethyl)-amine
CID 6504212
Bis-(2-pentafluoroethyloxy-ethyl)-amine
CID 12046721
N-(2-ethoxyethyl)-2,2,2-trifluoroethanamine
CID 43387971
(2,2-Difluoroethyl)(2-methoxyethyl)amine
CID 47003171

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine?
The IUPAC name of N-ethyl-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine (CID 12046719) is N-ethyl-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine.
What is the SMILES notation for N-ethyl-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine?
The canonical SMILES for N-ethyl-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine is CCNCCOC(F)(F)C(F)(F)F.
What is the InChIKey of N-ethyl-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine?
The InChIKey is PUELQMKJKMKFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F5NO/c1-2-12-3-4-13-6(10,11)5(7,8)9/h12H,2-4H2,1H3.
What are the key properties of N-ethyl-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine?
N-ethyl-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine has a molecular weight of 207.14 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine is sourced from PubChem (CID 12046719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).