[4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol

C8H14F3NO2 — CID 61044749

IUPAC[4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
SMILESOCC1(NCC(F)(F)F)CCOCC1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)5-12-7(6-13)1-3-14-4-2-7/h12-13H,1-6H2
InChIKeyQUSIDUXSAIVHGG-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.68
Rot. Bonds3

About [4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol

[4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol (PubChem CID 61044749) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is [4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
PubChem CID61044749
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name[4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
SMILESOCC1(NCC(F)(F)F)CCOCC1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)5-12-7(6-13)1-3-14-4-2-7/h12-13H,1-6H2
InChIKeyQUSIDUXSAIVHGG-UHFFFAOYSA-N
XLogP0.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(Methylamino)oxan-4-yl]methanol
CID 58026254
2-[4-(2,2,2-Trifluoroethylamino)oxan-4-yl]ethanol
CID 84590200
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-[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-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 64803031
2-Methyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 64804704
[2,6-Dimethyl-4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
CID 81853340

Frequently Asked Questions

What is the IUPAC name of [4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol?
The IUPAC name of [4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol (CID 61044749) is [4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol.
What is the SMILES notation for [4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol?
The canonical SMILES for [4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol is OCC1(NCC(F)(F)F)CCOCC1.
What is the InChIKey of [4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol?
The InChIKey is QUSIDUXSAIVHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c9-8(10,11)5-12-7(6-13)1-3-14-4-2-7/h12-13H,1-6H2.
What are the key properties of [4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol?
[4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol has a molecular weight of 213.20 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol is sourced from PubChem (CID 61044749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).