4-[(1,1-difluoropropan-2-ylamino)methyl]oxan-4-ol

C9H17F2NO2 — CID 102869808

IUPAC4-[(1,1-difluoropropan-2-ylamino)methyl]oxan-4-ol
SMILESCC(NCC1(O)CCOCC1)C(F)F
InChIInChI=1S/C9H17F2NO2/c1-7(8(10)11)12-6-9(13)2-4-14-5-3-9/h7-8,12-13H,2-6H2,1H3
InChIKeyHJDIQZZLVKEKIY-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.77
Rot. Bonds4

About 4-[(1,1-difluoropropan-2-ylamino)methyl]oxan-4-ol

4-[(1,1-difluoropropan-2-ylamino)methyl]oxan-4-ol (PubChem CID 102869808) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 4-[(1,1-difluoropropan-2-ylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(1,1-difluoropropan-2-ylamino)methyl]oxan-4-ol
PubChem CID102869808
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name4-[(1,1-difluoropropan-2-ylamino)methyl]oxan-4-ol
SMILESCC(NCC1(O)CCOCC1)C(F)F
InChIInChI=1S/C9H17F2NO2/c1-7(8(10)11)12-6-9(13)2-4-14-5-3-9/h7-8,12-13H,2-6H2,1H3
InChIKeyHJDIQZZLVKEKIY-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1,1-difluoropropan-2-ylamino)methyl]oxan-4-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 4-[(1,1-difluoropropan-2-ylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(1,1-difluoropropan-2-ylamino)methyl]oxan-4-ol (CID 102869808) is 4-[(1,1-difluoropropan-2-ylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(1,1-difluoropropan-2-ylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(1,1-difluoropropan-2-ylamino)methyl]oxan-4-ol is CC(NCC1(O)CCOCC1)C(F)F.
What is the InChIKey of 4-[(1,1-difluoropropan-2-ylamino)methyl]oxan-4-ol?
The InChIKey is HJDIQZZLVKEKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-7(8(10)11)12-6-9(13)2-4-14-5-3-9/h7-8,12-13H,2-6H2,1H3.
What are the key properties of 4-[(1,1-difluoropropan-2-ylamino)methyl]oxan-4-ol?
4-[(1,1-difluoropropan-2-ylamino)methyl]oxan-4-ol has a molecular weight of 209.24 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-difluoropropan-2-ylamino)methyl]oxan-4-ol is sourced from PubChem (CID 102869808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).