1,1,1-trifluoro-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol

C9H16F3NO2 — CID 114467711

IUPAC1,1,1-trifluoro-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
SMILESC=C(C)COCCNCC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-7(2)6-15-4-3-13-5-8(14)9(10,11)12/h8,13-14H,1,3-6H2,2H3
InChIKeyABLXJALOJKBDDJ-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.09
Rot. Bonds7

About 1,1,1-trifluoro-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol

1,1,1-trifluoro-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol (PubChem CID 114467711) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
PubChem CID114467711
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name1,1,1-trifluoro-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
SMILESC=C(C)COCCNCC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-7(2)6-15-4-3-13-5-8(14)9(10,11)12/h8,13-14H,1,3-6H2,2H3
InChIKeyABLXJALOJKBDDJ-UHFFFAOYSA-N
XLogP1.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
CID 114467137
2,2-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114467227
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 114467234
2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114467454
3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 114467497
3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 114467702
2-(2-methylprop-2-enoxy)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 114467715
2-(2-methylprop-2-enoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 114467774
(2S)-3-[2-(2-methylprop-2-enoxy)ethylamino]propane-1,2-diol
CID 104929414
(2R)-1-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
CID 106932642
(2S)-1-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
CID 106932643
1-[2-(2-Methylprop-2-enoxy)ethylamino]butan-2-ol
CID 114467199

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol (CID 114467711) is 1,1,1-trifluoro-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol is C=C(C)COCCNCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol?
The InChIKey is ABLXJALOJKBDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-7(2)6-15-4-3-13-5-8(14)9(10,11)12/h8,13-14H,1,3-6H2,2H3.
What are the key properties of 1,1,1-trifluoro-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol?
1,1,1-trifluoro-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol has a molecular weight of 227.23 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 114467711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).