4-[[2-(trifluoromethoxy)ethylamino]methyl]oxan-4-ol

C9H16F3NO3 — CID 81131136

IUPAC4-[[2-(trifluoromethoxy)ethylamino]methyl]oxan-4-ol
SMILESOC1(CNCCOC(F)(F)F)CCOCC1
InChIInChI=1S/C9H16F3NO3/c10-9(11,12)16-6-3-13-7-8(14)1-4-15-5-2-8/h13-14H,1-7H2
InChIKeyDHYSSHCJRXQLLW-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.65
Rot. Bonds5

About 4-[[2-(trifluoromethoxy)ethylamino]methyl]oxan-4-ol

4-[[2-(trifluoromethoxy)ethylamino]methyl]oxan-4-ol (PubChem CID 81131136) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 4-[[2-(trifluoromethoxy)ethylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[2-(trifluoromethoxy)ethylamino]methyl]oxan-4-ol
PubChem CID81131136
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name4-[[2-(trifluoromethoxy)ethylamino]methyl]oxan-4-ol
SMILESOC1(CNCCOC(F)(F)F)CCOCC1
InChIInChI=1S/C9H16F3NO3/c10-9(11,12)16-6-3-13-7-8(14)1-4-15-5-2-8/h13-14H,1-7H2
InChIKeyDHYSSHCJRXQLLW-UHFFFAOYSA-N
XLogP0.65
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(Difluoromethyl)-2-methylmorpholin-2-yl]ethanol
CID 117822414
2-{5-[(Difluoromethoxy)methyl]-2-methylmorpholin-2-yl}ethanol
CID 117822875
1-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
CID 61518643
N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63712741
1,1,1-Trifluoro-3-{[(oxan-4-yl)methyl]amino}propan-2-ol
CID 63900049
1-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]cyclopentan-1-ol
CID 65109102
3-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]pentan-3-ol
CID 65111442
N-(oxan-4-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 65805188
3-[[2-(Trifluoromethoxy)ethylamino]methyl]pentan-3-ol
CID 65805192
4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]butanamide
CID 79039351
3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 79039443
2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79039526

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(trifluoromethoxy)ethylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[2-(trifluoromethoxy)ethylamino]methyl]oxan-4-ol (CID 81131136) is 4-[[2-(trifluoromethoxy)ethylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[2-(trifluoromethoxy)ethylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[2-(trifluoromethoxy)ethylamino]methyl]oxan-4-ol is OC1(CNCCOC(F)(F)F)CCOCC1.
What is the InChIKey of 4-[[2-(trifluoromethoxy)ethylamino]methyl]oxan-4-ol?
The InChIKey is DHYSSHCJRXQLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c10-9(11,12)16-6-3-13-7-8(14)1-4-15-5-2-8/h13-14H,1-7H2.
What are the key properties of 4-[[2-(trifluoromethoxy)ethylamino]methyl]oxan-4-ol?
4-[[2-(trifluoromethoxy)ethylamino]methyl]oxan-4-ol has a molecular weight of 243.22 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(trifluoromethoxy)ethylamino]methyl]oxan-4-ol is sourced from PubChem (CID 81131136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).