[4-(4,4,4-trifluorobutylamino)oxan-4-yl]methanol

C10H18F3NO2 — CID 106297686

IUPAC[4-(4,4,4-trifluorobutylamino)oxan-4-yl]methanol
SMILESOCC1(NCCCC(F)(F)F)CCOCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)2-1-5-14-9(8-15)3-6-16-7-4-9/h14-15H,1-8H2
InChIKeyRPNHLZLMMJUEGF-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.46
Rot. Bonds5

About [4-(4,4,4-trifluorobutylamino)oxan-4-yl]methanol

[4-(4,4,4-trifluorobutylamino)oxan-4-yl]methanol (PubChem CID 106297686) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is [4-(4,4,4-trifluorobutylamino)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(4,4,4-trifluorobutylamino)oxan-4-yl]methanol
PubChem CID106297686
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name[4-(4,4,4-trifluorobutylamino)oxan-4-yl]methanol
SMILESOCC1(NCCCC(F)(F)F)CCOCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)2-1-5-14-9(8-15)3-6-16-7-4-9/h14-15H,1-8H2
InChIKeyRPNHLZLMMJUEGF-UHFFFAOYSA-N
XLogP1.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
[1-[3-(2,2,2-Trifluoroethoxy)propylamino]cyclohexyl]methanol
CID 55082079
{4-[(2,2,2-trifluoroethyl)amino]tetrahydro-2H-pyran-4-yl}methanol
CID 61044749
4-Methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045657
4-Methoxy-2-methyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
CID 61873000
2-(Oxan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 62391610
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
[1-[3-(2,2,2-Trifluoroethoxy)propylamino]cyclopentyl]methanol
CID 62518634
[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-Ethyl-4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
CID 64139282

Frequently Asked Questions

What is the IUPAC name of [4-(4,4,4-trifluorobutylamino)oxan-4-yl]methanol?
The IUPAC name of [4-(4,4,4-trifluorobutylamino)oxan-4-yl]methanol (CID 106297686) is [4-(4,4,4-trifluorobutylamino)oxan-4-yl]methanol.
What is the SMILES notation for [4-(4,4,4-trifluorobutylamino)oxan-4-yl]methanol?
The canonical SMILES for [4-(4,4,4-trifluorobutylamino)oxan-4-yl]methanol is OCC1(NCCCC(F)(F)F)CCOCC1.
What is the InChIKey of [4-(4,4,4-trifluorobutylamino)oxan-4-yl]methanol?
The InChIKey is RPNHLZLMMJUEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)2-1-5-14-9(8-15)3-6-16-7-4-9/h14-15H,1-8H2.
What are the key properties of [4-(4,4,4-trifluorobutylamino)oxan-4-yl]methanol?
[4-(4,4,4-trifluorobutylamino)oxan-4-yl]methanol has a molecular weight of 241.25 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4,4-trifluorobutylamino)oxan-4-yl]methanol is sourced from PubChem (CID 106297686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).