4-[[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]methyl]oxan-4-ol

C11H21F3N2O2 — CID 114948583

IUPAC4-[[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)C(CCN)C(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-16(9(2-5-15)11(12,13)14)8-10(17)3-6-18-7-4-10/h9,17H,2-8,15H2,1H3
InChIKeyBDUPFKZHQSMNGT-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.74
Rot. Bonds5

About 4-[[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]methyl]oxan-4-ol

4-[[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]methyl]oxan-4-ol (PubChem CID 114948583) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-[[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]methyl]oxan-4-ol
PubChem CID114948583
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Name4-[[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)C(CCN)C(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-16(9(2-5-15)11(12,13)14)8-10(17)3-6-18-7-4-10/h9,17H,2-8,15H2,1H3
InChIKeyBDUPFKZHQSMNGT-UHFFFAOYSA-N
XLogP0.74
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[[(2-amino-1-phenylethyl)-methylamino]methyl]oxan-4-ol
CID 114948371
3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
CID 114948737
3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanethioamide
CID 103368843
4-[[[2-amino-1-(furan-2-yl)ethyl]-methylamino]methyl]oxan-4-ol
CID 114948505
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanenitrile
CID 114949348
4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol
CID 115746978
(3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine
CID 129365506
ethyl 3-[(4-hydroxyoxan-4-yl)methyl-methylamino]butanoate
CID 114950204
4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol
CID 114953654
4-[[[2-amino-1-(2-chlorophenyl)propyl]-methylamino]methyl]oxan-4-ol
CID 114948474
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
1-[[(3-amino-1-phenylpropyl)-methylamino]methyl]cyclopentan-1-ol
CID 114948545

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]methyl]oxan-4-ol (CID 114948583) is 4-[[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]methyl]oxan-4-ol is CN(CC1(O)CCOCC1)C(CCN)C(F)(F)F.
What is the InChIKey of 4-[[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]methyl]oxan-4-ol?
The InChIKey is BDUPFKZHQSMNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-16(9(2-5-15)11(12,13)14)8-10(17)3-6-18-7-4-10/h9,17H,2-8,15H2,1H3.
What are the key properties of 4-[[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]methyl]oxan-4-ol?
4-[[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]methyl]oxan-4-ol has a molecular weight of 270.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114948583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).