3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1,1,1-trifluoropropan-2-ol

C9H14F3NO2 — CID 115741896

IUPAC3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCC1=CCCOC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)8(14)5-13-4-7-2-1-3-15-6-7/h2,8,13-14H,1,3-6H2
InChIKeyDOJRXYUMEVSLON-UHFFFAOYSA-N
MW225.21 g/mol
LogP0.85
Rot. Bonds4

About 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1,1,1-trifluoropropan-2-ol

3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 115741896) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID115741896
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCC1=CCCOC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)8(14)5-13-4-7-2-1-3-15-6-7/h2,8,13-14H,1,3-6H2
InChIKeyDOJRXYUMEVSLON-UHFFFAOYSA-N
XLogP0.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-[3,6-dihydro-2H-pyran-5-ylmethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 109936004
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 115741802
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3,3,3-trifluoropropan-1-amine
CID 115742219
1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-(2-methylpropoxy)propan-2-ol
CID 112353576
1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-2-ol
CID 115742083
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-2-ol
CID 115866645
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol
CID 131224218
5-(Methoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol
CID 165452380
5-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol
CID 165452454
5-[(Propan-2-yloxy)methyl]-1,2,3,6-tetrahydropyridin-3-ol
CID 165743332

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1,1,1-trifluoropropan-2-ol (CID 115741896) is 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1,1,1-trifluoropropan-2-ol is OC(CNCC1=CCCOC1)C(F)(F)F.
What is the InChIKey of 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is DOJRXYUMEVSLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)8(14)5-13-4-7-2-1-3-15-6-7/h2,8,13-14H,1,3-6H2.
What are the key properties of 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1,1,1-trifluoropropan-2-ol?
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 225.21 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 115741896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).