3-[3-(2,2-difluoro-3-hydroxypropoxy)-2,2-difluoropropoxy]-2,2-difluoropropan-1-ol

C9H14F6O4 — CID 159983184

IUPAC3-[3-(2,2-difluoro-3-hydroxypropoxy)-2,2-difluoropropoxy]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)COCC(F)(F)COCC(F)(F)CO
InChIInChI=1S/C9H14F6O4/c10-7(11,1-16)3-18-5-9(14,15)6-19-4-8(12,13)2-17/h16-17H,1-6H2
InChIKeyBELYHAIPRLFJMY-UHFFFAOYSA-N
MW300.20 g/mol
LogP0.91
Rot. Bonds10

About 3-[3-(2,2-difluoro-3-hydroxypropoxy)-2,2-difluoropropoxy]-2,2-difluoropropan-1-ol

3-[3-(2,2-difluoro-3-hydroxypropoxy)-2,2-difluoropropoxy]-2,2-difluoropropan-1-ol (PubChem CID 159983184) has the molecular formula C9H14F6O4 and a molecular weight of 300.20 g/mol. Its IUPAC name is 3-[3-(2,2-difluoro-3-hydroxypropoxy)-2,2-difluoropropoxy]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[3-(2,2-difluoro-3-hydroxypropoxy)-2,2-difluoropropoxy]-2,2-difluoropropan-1-ol
PubChem CID159983184
Molecular FormulaC9H14F6O4
Molecular Weight300.20 g/mol
Exact Mass300.08
IUPAC Name3-[3-(2,2-difluoro-3-hydroxypropoxy)-2,2-difluoropropoxy]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)COCC(F)(F)COCC(F)(F)CO
InChIInChI=1S/C9H14F6O4/c10-7(11,1-16)3-18-5-9(14,15)6-19-4-8(12,13)2-17/h16-17H,1-6H2
InChIKeyBELYHAIPRLFJMY-UHFFFAOYSA-N
XLogP0.91
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-(2,2-difluoro-3-hydroxypropoxy)-2,2-difluoropropoxy]-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

Related Compounds

3-[[3-[(2,2-difluoro-3-hydroxypropoxy)methyl]phenyl]methoxy]-2,2-difluoropropan-1-ol
CID 101245603
1-chloro-3-(3-chloro-2,2-difluoropropoxy)-2,2-difluoropropane
CID 166522369
2,2-difluoro-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butoxy]propan-1-ol
CID 142385812
3-bromo-2,2-difluoropropan-1-ol
CID 112756501
2-[[3-hydroxy-2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 11038293
2-(2,2,4,4,4-pentafluorobutoxy)ethanol
CID 168876131
3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol
CID 14512536
[2,2-difluoro-3-(2-hydroxyacetyl)oxypropyl] 2-hydroxyacetate
CID 22506457
3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropan-1-ol;[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropyl] trifluoromethanesulfonate
CID 159875483
1-(2,2-difluoropropoxy)-2,2-difluoropropane
CID 142789331
2-[[3-[2-(hydroxymethyl)-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]-2,2-dimethylpropoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propan-1-ol
CID 88552328
2-(fluoromethoxymethyl)-2-methylpropane-1,3-diol;2-methyl-2-(2,2,2-trifluoroethoxymethyl)propane-1,3-diol;tetrafluoromethane
CID 159500657

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-difluoro-3-hydroxypropoxy)-2,2-difluoropropoxy]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[3-(2,2-difluoro-3-hydroxypropoxy)-2,2-difluoropropoxy]-2,2-difluoropropan-1-ol (CID 159983184) is 3-[3-(2,2-difluoro-3-hydroxypropoxy)-2,2-difluoropropoxy]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[3-(2,2-difluoro-3-hydroxypropoxy)-2,2-difluoropropoxy]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[3-(2,2-difluoro-3-hydroxypropoxy)-2,2-difluoropropoxy]-2,2-difluoropropan-1-ol is OCC(F)(F)COCC(F)(F)COCC(F)(F)CO.
What is the InChIKey of 3-[3-(2,2-difluoro-3-hydroxypropoxy)-2,2-difluoropropoxy]-2,2-difluoropropan-1-ol?
The InChIKey is BELYHAIPRLFJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6O4/c10-7(11,1-16)3-18-5-9(14,15)6-19-4-8(12,13)2-17/h16-17H,1-6H2.
What are the key properties of 3-[3-(2,2-difluoro-3-hydroxypropoxy)-2,2-difluoropropoxy]-2,2-difluoropropan-1-ol?
3-[3-(2,2-difluoro-3-hydroxypropoxy)-2,2-difluoropropoxy]-2,2-difluoropropan-1-ol has a molecular weight of 300.20 g/mol, XLogP of 0.91, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-difluoro-3-hydroxypropoxy)-2,2-difluoropropoxy]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 159983184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).