3,3,3-trifluoro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine

C9H18F3NO — CID 143070871

IUPAC3,3,3-trifluoro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
SMILESCOCCN(CCC(F)(F)F)C(C)C
InChIInChI=1S/C9H18F3NO/c1-8(2)13(6-7-14-3)5-4-9(10,11)12/h8H,4-7H2,1-3H3
InChIKeyZKEZJGHEDHWNJD-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.30
Rot. Bonds6

About 3,3,3-trifluoro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine

3,3,3-trifluoro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine (PubChem CID 143070871) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
PubChem CID143070871
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name3,3,3-trifluoro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
SMILESCOCCN(CCC(F)(F)F)C(C)C
InChIInChI=1S/C9H18F3NO/c1-8(2)13(6-7-14-3)5-4-9(10,11)12/h8H,4-7H2,1-3H3
InChIKeyZKEZJGHEDHWNJD-UHFFFAOYSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine (CID 143070871) is 3,3,3-trifluoro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine is COCCN(CCC(F)(F)F)C(C)C.
What is the InChIKey of 3,3,3-trifluoro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is ZKEZJGHEDHWNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-8(2)13(6-7-14-3)5-4-9(10,11)12/h8H,4-7H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine?
3,3,3-trifluoro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 213.24 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 143070871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).