3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropan-1-ol

C9H15F2NO2 — CID 107095502

IUPAC3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNCC1CCC=CO1
InChIInChI=1S/C9H15F2NO2/c10-9(11,7-13)6-12-5-8-3-1-2-4-14-8/h2,4,8,12-13H,1,3,5-7H2
InChIKeyGPMRTIMIRRLZNX-UHFFFAOYSA-N
MW207.22 g/mol
LogP0.90
Rot. Bonds5

About 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropan-1-ol

3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropan-1-ol (PubChem CID 107095502) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropan-1-ol
PubChem CID107095502
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNCC1CCC=CO1
InChIInChI=1S/C9H15F2NO2/c10-9(11,7-13)6-12-5-8-3-1-2-4-14-8/h2,4,8,12-13H,1,3,5-7H2
InChIKeyGPMRTIMIRRLZNX-UHFFFAOYSA-N
XLogP0.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropan-1-ol (CID 107095502) is 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropan-1-ol is OCC(F)(F)CNCC1CCC=CO1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropan-1-ol?
The InChIKey is GPMRTIMIRRLZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c10-9(11,7-13)6-12-5-8-3-1-2-4-14-8/h2,4,8,12-13H,1,3,5-7H2.
What are the key properties of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropan-1-ol?
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropan-1-ol has a molecular weight of 207.22 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 107095502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).