4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol

C10H20F3NO2 — CID 61045657

IUPAC4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
SMILESCOC(C)(C)CC(C)(CO)NCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-8(2,16-4)5-9(3,7-15)14-6-10(11,12)13/h14-15H,5-7H2,1-4H3
InChIKeyIUBVPXQLYWQMIK-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.70
Rot. Bonds6

About 4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol

4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol (PubChem CID 61045657) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
PubChem CID61045657
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
SMILESCOC(C)(C)CC(C)(CO)NCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-8(2,16-4)5-9(3,7-15)14-6-10(11,12)13/h14-15H,5-7H2,1-4H3
InChIKeyIUBVPXQLYWQMIK-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4,4-dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
CID 163245457
(2R)-4-methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
CID 163245686
1-[[3,3-Difluoro-1-(hydroxymethyl)cyclobutyl]amino]-4-methylpentan-2-ol
CID 163393202
1-[[3,3-Difluoro-1-(hydroxymethyl)cyclobutyl]amino]butan-2-ol
CID 163393211
4,4-Difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol
CID 167099786
4,4-Dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
CID 169759866
4-Methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
CID 169760200
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol
CID 54962234
2-Methyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045280
2,4-Dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045283
4-Methoxy-2-methyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
CID 61873000
2-Ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]butan-1-ol
CID 62517611

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol?
The IUPAC name of 4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol (CID 61045657) is 4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol.
What is the SMILES notation for 4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol?
The canonical SMILES for 4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol is COC(C)(C)CC(C)(CO)NCC(F)(F)F.
What is the InChIKey of 4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol?
The InChIKey is IUBVPXQLYWQMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-8(2,16-4)5-9(3,7-15)14-6-10(11,12)13/h14-15H,5-7H2,1-4H3.
What are the key properties of 4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol?
4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol has a molecular weight of 243.27 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol is sourced from PubChem (CID 61045657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).