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

C10H20F3NO — CID 62199109

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine
SMILESCCCCC(C)NCCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-3-4-5-9(2)14-6-7-15-8-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyDKRYVUPXHUHKND-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.73
Rot. Bonds8

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

N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine (PubChem CID 62199109) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine
PubChem CID62199109
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine
SMILESCCCCC(C)NCCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-3-4-5-9(2)14-6-7-15-8-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyDKRYVUPXHUHKND-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.73
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

6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
CID 54962012
N-[2-(3-methoxypropoxy)ethyl]hexan-2-amine
CID 103178889
N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 63226562
5-(2,2,3,3,3-pentafluoropropoxy)-N-propylpentan-2-amine
CID 103725355
N-(2-octoxyethyl)pentan-2-amine
CID 55196861
N-(2-undecoxyethyl)pentan-2-amine
CID 22091507
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine
CID 104567239
N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148516
2-[2-[[(2S)-octan-2-yl]amino]ethoxy]ethanol
CID 29007498
N-(2-propan-2-yloxyethyl)hexan-2-amine
CID 62199838
4-bromo-N-(2-butoxyethyl)butan-2-amine
CID 83186631
N-(2-butoxyethyl)-4-chlorobutan-2-amine
CID 83186904

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine (CID 62199109) is N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine is CCCCC(C)NCCOCC(F)(F)F.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine?
The InChIKey is DKRYVUPXHUHKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-3-4-5-9(2)14-6-7-15-8-10(11,12)13/h9,14H,3-8H2,1-2H3.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine has a molecular weight of 227.27 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine is sourced from PubChem (CID 62199109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).