4-[(2,2-difluoroethylamino)methyl]oxan-4-ol

C8H15F2NO2 — CID 81130270

IUPAC4-[(2,2-difluoroethylamino)methyl]oxan-4-ol
SMILESOC1(CNCC(F)F)CCOCC1
InChIInChI=1S/C8H15F2NO2/c9-7(10)5-11-6-8(12)1-3-13-4-2-8/h7,11-12H,1-6H2
InChIKeyZXZMAIGCAMYLSU-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.38
Rot. Bonds4

About 4-[(2,2-difluoroethylamino)methyl]oxan-4-ol

4-[(2,2-difluoroethylamino)methyl]oxan-4-ol (PubChem CID 81130270) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 4-[(2,2-difluoroethylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(2,2-difluoroethylamino)methyl]oxan-4-ol
PubChem CID81130270
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name4-[(2,2-difluoroethylamino)methyl]oxan-4-ol
SMILESOC1(CNCC(F)F)CCOCC1
InChIInChI=1S/C8H15F2NO2/c9-7(10)5-11-6-8(12)1-3-13-4-2-8/h7,11-12H,1-6H2
InChIKeyZXZMAIGCAMYLSU-UHFFFAOYSA-N
XLogP0.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-difluoroethylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(2,2-difluoroethylamino)methyl]oxan-4-ol (CID 81130270) is 4-[(2,2-difluoroethylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(2,2-difluoroethylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(2,2-difluoroethylamino)methyl]oxan-4-ol is OC1(CNCC(F)F)CCOCC1.
What is the InChIKey of 4-[(2,2-difluoroethylamino)methyl]oxan-4-ol?
The InChIKey is ZXZMAIGCAMYLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c9-7(10)5-11-6-8(12)1-3-13-4-2-8/h7,11-12H,1-6H2.
What are the key properties of 4-[(2,2-difluoroethylamino)methyl]oxan-4-ol?
4-[(2,2-difluoroethylamino)methyl]oxan-4-ol has a molecular weight of 195.21 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-difluoroethylamino)methyl]oxan-4-ol is sourced from PubChem (CID 81130270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).