4-[[methyl(4,4,4-trifluorobutyl)amino]methyl]oxan-4-ol

C11H20F3NO2 — CID 114952838

IUPAC4-[[methyl(4,4,4-trifluorobutyl)amino]methyl]oxan-4-ol
SMILESCN(CCCC(F)(F)F)CC1(O)CCOCC1
InChIInChI=1S/C11H20F3NO2/c1-15(6-2-3-11(12,13)14)9-10(16)4-7-17-8-5-10/h16H,2-9H2,1H3
InChIKeyYSKXEDGOWBCGTB-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.80
Rot. Bonds5

About 4-[[methyl(4,4,4-trifluorobutyl)amino]methyl]oxan-4-ol

4-[[methyl(4,4,4-trifluorobutyl)amino]methyl]oxan-4-ol (PubChem CID 114952838) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-[[methyl(4,4,4-trifluorobutyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl(4,4,4-trifluorobutyl)amino]methyl]oxan-4-ol
PubChem CID114952838
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name4-[[methyl(4,4,4-trifluorobutyl)amino]methyl]oxan-4-ol
SMILESCN(CCCC(F)(F)F)CC1(O)CCOCC1
InChIInChI=1S/C11H20F3NO2/c1-15(6-2-3-11(12,13)14)9-10(16)4-7-17-8-5-10/h16H,2-9H2,1H3
InChIKeyYSKXEDGOWBCGTB-UHFFFAOYSA-N
XLogP1.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3,3-Bis(trifluoromethyl)pyrrolidin-1-yl]methyl]oxan-4-ol
CID 91645935
1-[2-[(2-Methylpropan-2-yl)oxy]ethyl]-4-(trifluoromethyl)piperidin-4-ol
CID 70962676
4-Methyl-3-dimethylamino-tetrahydropyran-4-ol
CID 15567023
1,1,1-Trifluoro-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol
CID 63901653
4-[(2,2-Difluoroethylamino)methyl]oxan-4-ol
CID 81130270
4-[(3,3,3-Trifluoropropylamino)methyl]oxan-4-ol
CID 81130526
4-[(2,2,2-Trifluoroethylamino)methyl]oxan-4-ol
CID 81130528
4-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]oxan-4-ol
CID 81130704
4-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]oxan-4-ol
CID 81130959
4-[[2-(Trifluoromethoxy)ethylamino]methyl]oxan-4-ol
CID 81131136
4-[(1,1-Difluoropropan-2-ylamino)methyl]oxan-4-ol
CID 102869808
4-[[[2-(Aminomethyl)-3,3,3-trifluoropropyl]-methylamino]methyl]oxan-4-ol
CID 103366484

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(4,4,4-trifluorobutyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl(4,4,4-trifluorobutyl)amino]methyl]oxan-4-ol (CID 114952838) is 4-[[methyl(4,4,4-trifluorobutyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl(4,4,4-trifluorobutyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl(4,4,4-trifluorobutyl)amino]methyl]oxan-4-ol is CN(CCCC(F)(F)F)CC1(O)CCOCC1.
What is the InChIKey of 4-[[methyl(4,4,4-trifluorobutyl)amino]methyl]oxan-4-ol?
The InChIKey is YSKXEDGOWBCGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-15(6-2-3-11(12,13)14)9-10(16)4-7-17-8-5-10/h16H,2-9H2,1H3.
What are the key properties of 4-[[methyl(4,4,4-trifluorobutyl)amino]methyl]oxan-4-ol?
4-[[methyl(4,4,4-trifluorobutyl)amino]methyl]oxan-4-ol has a molecular weight of 255.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(4,4,4-trifluorobutyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 114952838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).