N-(2,2-dimethoxyethyl)-3,3,3-trifluoro-N-methylpropan-1-amine

C8H16F3NO2 — CID 66222785

IUPACN-(2,2-dimethoxyethyl)-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCOC(CN(C)CCC(F)(F)F)OC
InChIInChI=1S/C8H16F3NO2/c1-12(5-4-8(9,10)11)6-7(13-2)14-3/h7H,4-6H2,1-3H3
InChIKeySFJCFKKLVFGQLX-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.49
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-3,3,3-trifluoro-N-methylpropan-1-amine

N-(2,2-dimethoxyethyl)-3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 66222785) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID66222785
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC NameN-(2,2-dimethoxyethyl)-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCOC(CN(C)CCC(F)(F)F)OC
InChIInChI=1S/C8H16F3NO2/c1-12(5-4-8(9,10)11)6-7(13-2)14-3/h7H,4-6H2,1-3H3
InChIKeySFJCFKKLVFGQLX-UHFFFAOYSA-N
XLogP1.49
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-3,3,3-trifluoro-N-methylpropan-1-amine (CID 66222785) is N-(2,2-dimethoxyethyl)-3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-3,3,3-trifluoro-N-methylpropan-1-amine is COC(CN(C)CCC(F)(F)F)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is SFJCFKKLVFGQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2/c1-12(5-4-8(9,10)11)6-7(13-2)14-3/h7H,4-6H2,1-3H3.
What are the key properties of N-(2,2-dimethoxyethyl)-3,3,3-trifluoro-N-methylpropan-1-amine?
N-(2,2-dimethoxyethyl)-3,3,3-trifluoro-N-methylpropan-1-amine has a molecular weight of 215.21 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-3,3,3-trifluoro-N-methylpropan-1-amine is sourced from PubChem (CID 66222785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).