2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine

C12H24F3NO — CID 55106535

IUPAC2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
SMILESCCCCC(CC)(CN)CCOCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-3-5-6-11(4-2,9-16)7-8-17-10-12(13,14)15/h3-10,16H2,1-2H3
InChIKeyMAWYTYOWTLBJDM-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.50
Rot. Bonds9

About 2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine

2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine (PubChem CID 55106535) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
PubChem CID55106535
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
SMILESCCCCC(CC)(CN)CCOCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-3-5-6-11(4-2,9-16)7-8-17-10-12(13,14)15/h3-10,16H2,1-2H3
InChIKeyMAWYTYOWTLBJDM-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.50
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

2-ethyl-2-[2-(2-methylpropoxy)ethyl]hexan-1-amine
CID 106456779
2-butyl-2-ethylhexan-1-amine
CID 62725100
2-ethyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine
CID 62726032
2-butyl-2-ethyldodecan-1-amine
CID 55195465
2,2-diethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62724048
ethane;1-(2,2,2-trifluoroethoxy)butane
CID 170752039
2,2-diethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62724244
4-ethoxy-2,2-diethylbutan-1-amine
CID 62725698
5,8-dibutyl-5,8-diethyldodecane
CID 140960006
4,4-bis(bromomethyl)-1-(2,2,2-trifluoroethoxy)heptane
CID 79455454
2-decyl-2-ethylpropane-1,3-diamine
CID 102189049
2-(aminomethyl)-2-ethyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 106487383

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine?
The IUPAC name of 2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine (CID 55106535) is 2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine is CCCCC(CC)(CN)CCOCC(F)(F)F.
What is the InChIKey of 2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine?
The InChIKey is MAWYTYOWTLBJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-3-5-6-11(4-2,9-16)7-8-17-10-12(13,14)15/h3-10,16H2,1-2H3.
What are the key properties of 2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine?
2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine has a molecular weight of 255.32 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine is sourced from PubChem (CID 55106535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).