3-[2,2-difluoro-3-(propan-2-ylamino)propoxy]-2-fluoropropan-1-ol

C9H18F3NO2 — CID 167254248

IUPAC3-[2,2-difluoro-3-(propan-2-ylamino)propoxy]-2-fluoropropan-1-ol
SMILESCC(C)NCC(F)(F)COCC(F)CO
InChIInChI=1S/C9H18F3NO2/c1-7(2)13-5-9(11,12)6-15-4-8(10)3-14/h7-8,13-14H,3-6H2,1-2H3
InChIKeyYAZRUOCOXUHOQS-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.97
Rot. Bonds8

About 3-[2,2-difluoro-3-(propan-2-ylamino)propoxy]-2-fluoropropan-1-ol

3-[2,2-difluoro-3-(propan-2-ylamino)propoxy]-2-fluoropropan-1-ol (PubChem CID 167254248) has the molecular formula C9H18F3NO2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-[2,2-difluoro-3-(propan-2-ylamino)propoxy]-2-fluoropropan-1-ol.

Molecular Properties

Compound Name3-[2,2-difluoro-3-(propan-2-ylamino)propoxy]-2-fluoropropan-1-ol
PubChem CID167254248
Molecular FormulaC9H18F3NO2
Molecular Weight229.24 g/mol
Exact Mass229.13
IUPAC Name3-[2,2-difluoro-3-(propan-2-ylamino)propoxy]-2-fluoropropan-1-ol
SMILESCC(C)NCC(F)(F)COCC(F)CO
InChIInChI=1S/C9H18F3NO2/c1-7(2)13-5-9(11,12)6-15-4-8(10)3-14/h7-8,13-14H,3-6H2,1-2H3
InChIKeyYAZRUOCOXUHOQS-UHFFFAOYSA-N
XLogP0.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoro-3-(propan-2-ylamino)propoxy]-2-fluoropropan-1-ol?
The IUPAC name of 3-[2,2-difluoro-3-(propan-2-ylamino)propoxy]-2-fluoropropan-1-ol (CID 167254248) is 3-[2,2-difluoro-3-(propan-2-ylamino)propoxy]-2-fluoropropan-1-ol.
What is the SMILES notation for 3-[2,2-difluoro-3-(propan-2-ylamino)propoxy]-2-fluoropropan-1-ol?
The canonical SMILES for 3-[2,2-difluoro-3-(propan-2-ylamino)propoxy]-2-fluoropropan-1-ol is CC(C)NCC(F)(F)COCC(F)CO.
What is the InChIKey of 3-[2,2-difluoro-3-(propan-2-ylamino)propoxy]-2-fluoropropan-1-ol?
The InChIKey is YAZRUOCOXUHOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2/c1-7(2)13-5-9(11,12)6-15-4-8(10)3-14/h7-8,13-14H,3-6H2,1-2H3.
What are the key properties of 3-[2,2-difluoro-3-(propan-2-ylamino)propoxy]-2-fluoropropan-1-ol?
3-[2,2-difluoro-3-(propan-2-ylamino)propoxy]-2-fluoropropan-1-ol has a molecular weight of 229.24 g/mol, XLogP of 0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoro-3-(propan-2-ylamino)propoxy]-2-fluoropropan-1-ol is sourced from PubChem (CID 167254248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).