[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methanol

C12H22F3NO2 — CID 62391373

IUPAC[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methanol
SMILESCCCN(CC(F)(F)F)CC1(CO)CCOCC1
InChIInChI=1S/C12H22F3NO2/c1-2-5-16(9-12(13,14)15)8-11(10-17)3-6-18-7-4-11/h17H,2-10H2,1H3
InChIKeyPUUURGJJHBYKOA-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.05
Rot. Bonds6

About [4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methanol

[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methanol (PubChem CID 62391373) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is [4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methanol
PubChem CID62391373
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methanol
SMILESCCCN(CC(F)(F)F)CC1(CO)CCOCC1
InChIInChI=1S/C12H22F3NO2/c1-2-5-16(9-12(13,14)15)8-11(10-17)3-6-18-7-4-11/h17H,2-10H2,1H3
InChIKeyPUUURGJJHBYKOA-UHFFFAOYSA-N
XLogP2.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methanol (CID 62391373) is [4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methanol is CCCN(CC(F)(F)F)CC1(CO)CCOCC1.
What is the InChIKey of [4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methanol?
The InChIKey is PUUURGJJHBYKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-2-5-16(9-12(13,14)15)8-11(10-17)3-6-18-7-4-11/h17H,2-10H2,1H3.
What are the key properties of [4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methanol?
[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methanol has a molecular weight of 269.31 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 62391373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).