4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol

C10H18F3NO2 — CID 115746978

IUPAC4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol
SMILESCN(CCC(F)(F)F)CC1(O)CCOCC1
InChIInChI=1S/C10H18F3NO2/c1-14(5-2-10(11,12)13)8-9(15)3-6-16-7-4-9/h15H,2-8H2,1H3
InChIKeyRHSXQWUDUAHNLO-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.41
Rot. Bonds4

About 4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol

4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol (PubChem CID 115746978) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol
PubChem CID115746978
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol
SMILESCN(CCC(F)(F)F)CC1(O)CCOCC1
InChIInChI=1S/C10H18F3NO2/c1-14(5-2-10(11,12)13)8-9(15)3-6-16-7-4-9/h15H,2-8H2,1H3
InChIKeyRHSXQWUDUAHNLO-UHFFFAOYSA-N
XLogP1.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-ethylsulfanylethyl(methyl)amino]methyl]oxan-4-ol
CID 114952749
4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol
CID 115750815
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[5-hydroxypentyl(methyl)amino]methyl]oxan-4-ol
CID 114951905
4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol
CID 114952449
4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol
CID 114953922
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
4-[[5-chloropentyl(methyl)amino]methyl]oxan-4-ol
CID 114952437
4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol
CID 105343882
4-[[methyl(9-sulfanylnonyl)amino]methyl]oxan-4-ol
CID 105344297
3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanethioamide
CID 103368843
4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-ol
CID 115749283

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol (CID 115746978) is 4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol is CN(CCC(F)(F)F)CC1(O)CCOCC1.
What is the InChIKey of 4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol?
The InChIKey is RHSXQWUDUAHNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-14(5-2-10(11,12)13)8-9(15)3-6-16-7-4-9/h15H,2-8H2,1H3.
What are the key properties of 4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol?
4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol has a molecular weight of 241.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 115746978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).