ethane;2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine

C9H20F3NO — CID 176665498

IUPACethane;2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCC.CC(C)OCCNCC(F)(F)F
InChIInChI=1S/C7H14F3NO.C2H6/c1-6(2)12-4-3-11-5-7(8,9)10;1-2/h6,11H,3-5H2,1-2H3;1-2H3
InChIKeyNSTFQKRKXOUFLJ-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.59
Rot. Bonds5

About ethane;2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine

ethane;2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine (PubChem CID 176665498) has the molecular formula C9H20F3NO and a molecular weight of 215.26 g/mol. Its IUPAC name is ethane;2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine.

Molecular Properties

Compound Nameethane;2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine
PubChem CID176665498
Molecular FormulaC9H20F3NO
Molecular Weight215.26 g/mol
Exact Mass215.15
IUPAC Nameethane;2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCC.CC(C)OCCNCC(F)(F)F
InChIInChI=1S/C7H14F3NO.C2H6/c1-6(2)12-4-3-11-5-7(8,9)10;1-2/h6,11H,3-5H2,1-2H3;1-2H3
InChIKeyNSTFQKRKXOUFLJ-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of ethane;2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine?
The IUPAC name of ethane;2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine (CID 176665498) is ethane;2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine.
What is the SMILES notation for ethane;2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine?
The canonical SMILES for ethane;2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine is CC.CC(C)OCCNCC(F)(F)F.
What is the InChIKey of ethane;2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine?
The InChIKey is NSTFQKRKXOUFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO.C2H6/c1-6(2)12-4-3-11-5-7(8,9)10;1-2/h6,11H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine?
ethane;2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine has a molecular weight of 215.26 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine is sourced from PubChem (CID 176665498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).