[4-[2-(trifluoromethoxy)ethylamino]oxan-4-yl]methanol

C9H16F3NO3 — CID 107470427

IUPAC[4-[2-(trifluoromethoxy)ethylamino]oxan-4-yl]methanol
SMILESOCC1(NCCOC(F)(F)F)CCOCC1
InChIInChI=1S/C9H16F3NO3/c10-9(11,12)16-6-3-13-8(7-14)1-4-15-5-2-8/h13-14H,1-7H2
InChIKeyWHFKNXMGKGTWBB-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.65
Rot. Bonds5

About [4-[2-(trifluoromethoxy)ethylamino]oxan-4-yl]methanol

[4-[2-(trifluoromethoxy)ethylamino]oxan-4-yl]methanol (PubChem CID 107470427) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is [4-[2-(trifluoromethoxy)ethylamino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[2-(trifluoromethoxy)ethylamino]oxan-4-yl]methanol
PubChem CID107470427
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name[4-[2-(trifluoromethoxy)ethylamino]oxan-4-yl]methanol
SMILESOCC1(NCCOC(F)(F)F)CCOCC1
InChIInChI=1S/C9H16F3NO3/c10-9(11,12)16-6-3-13-8(7-14)1-4-15-5-2-8/h13-14H,1-7H2
InChIKeyWHFKNXMGKGTWBB-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-[4-(2,2,2-Trifluoroethylamino)oxan-4-yl]ethanol
CID 84590200
{4-[(2,2,2-trifluoroethyl)amino]tetrahydro-2H-pyran-4-yl}methanol
CID 61044749
4-Methoxy-2-methyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
CID 61873000
2-Ethyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-1-ol
CID 62517448
2-Ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]butan-1-ol
CID 62517611
[2,2-Dimethyl-4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
CID 64139280
[2-Methyl-4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
CID 64139281
2-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-1-ol
CID 64458479
2-Methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]butan-1-ol
CID 64551832
2-(Ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 64802616
2-Methyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 64802825
2-Methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 64803031

Frequently Asked Questions

What is the IUPAC name of [4-[2-(trifluoromethoxy)ethylamino]oxan-4-yl]methanol?
The IUPAC name of [4-[2-(trifluoromethoxy)ethylamino]oxan-4-yl]methanol (CID 107470427) is [4-[2-(trifluoromethoxy)ethylamino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[2-(trifluoromethoxy)ethylamino]oxan-4-yl]methanol?
The canonical SMILES for [4-[2-(trifluoromethoxy)ethylamino]oxan-4-yl]methanol is OCC1(NCCOC(F)(F)F)CCOCC1.
What is the InChIKey of [4-[2-(trifluoromethoxy)ethylamino]oxan-4-yl]methanol?
The InChIKey is WHFKNXMGKGTWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c10-9(11,12)16-6-3-13-8(7-14)1-4-15-5-2-8/h13-14H,1-7H2.
What are the key properties of [4-[2-(trifluoromethoxy)ethylamino]oxan-4-yl]methanol?
[4-[2-(trifluoromethoxy)ethylamino]oxan-4-yl]methanol 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]oxan-4-yl]methanol is sourced from PubChem (CID 107470427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).