4,4-dimethyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol

C10H20F3NO2 — CID 107470442

IUPAC4,4-dimethyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol
SMILESCC(C)(C)C(CCO)NCCOC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-9(2,3)8(4-6-15)14-5-7-16-10(11,12)13/h8,14-15H,4-7H2,1-3H3
InChIKeyGCOWPXFLAZZRIO-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.91
Rot. Bonds6

About 4,4-dimethyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol

4,4-dimethyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol (PubChem CID 107470442) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4,4-dimethyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol
PubChem CID107470442
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name4,4-dimethyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol
SMILESCC(C)(C)C(CCO)NCCOC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-9(2,3)8(4-6-15)14-5-7-16-10(11,12)13/h8,14-15H,4-7H2,1-3H3
InChIKeyGCOWPXFLAZZRIO-UHFFFAOYSA-N
XLogP1.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol
CID 107470448
3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106349643
3-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106349560
4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol
CID 113434724
3-(2,2-dimethylpropylamino)-4,4-dimethylpentan-1-ol
CID 106348997
3-[[(2S)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106349684
4,4-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol
CID 106348987
4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol
CID 104627986
4,4-dimethyl-3-(2-morpholin-4-ylethylamino)pentan-1-ol
CID 113434725
1-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,4-dimethylpentan-3-amine
CID 106354187
3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949872
1-fluoro-2-(trifluoromethoxy)ethane
CID 11137203

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol (CID 107470442) is 4,4-dimethyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol is CC(C)(C)C(CCO)NCCOC(F)(F)F.
What is the InChIKey of 4,4-dimethyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol?
The InChIKey is GCOWPXFLAZZRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-9(2,3)8(4-6-15)14-5-7-16-10(11,12)13/h8,14-15H,4-7H2,1-3H3.
What are the key properties of 4,4-dimethyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol?
4,4-dimethyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol has a molecular weight of 243.27 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol is sourced from PubChem (CID 107470442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).