3-(2,2,3,4,4,4-hexafluorobutoxy)propane-1,2-diol

C7H10F6O3 — CID 112758141

IUPAC3-(2,2,3,4,4,4-hexafluorobutoxy)propane-1,2-diol
SMILESOCC(O)COCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H10F6O3/c8-5(7(11,12)13)6(9,10)3-16-2-4(15)1-14/h4-5,14-15H,1-3H2
InChIKeyMYYFNAVWRGBFBC-UHFFFAOYSA-N
MW256.14 g/mol
LogP0.89
Rot. Bonds6

About 3-(2,2,3,4,4,4-hexafluorobutoxy)propane-1,2-diol

3-(2,2,3,4,4,4-hexafluorobutoxy)propane-1,2-diol (PubChem CID 112758141) has the molecular formula C7H10F6O3 and a molecular weight of 256.14 g/mol. Its IUPAC name is 3-(2,2,3,4,4,4-hexafluorobutoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(2,2,3,4,4,4-hexafluorobutoxy)propane-1,2-diol
PubChem CID112758141
Molecular FormulaC7H10F6O3
Molecular Weight256.14 g/mol
Exact Mass256.05
IUPAC Name3-(2,2,3,4,4,4-hexafluorobutoxy)propane-1,2-diol
SMILESOCC(O)COCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H10F6O3/c8-5(7(11,12)13)6(9,10)3-16-2-4(15)1-14/h4-5,14-15H,1-3H2
InChIKeyMYYFNAVWRGBFBC-UHFFFAOYSA-N
XLogP0.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(2,2,3,3,4,4,4-heptafluorobutoxy)propane-1,2-diol
CID 95757053
3-(2,2-difluoro-2-methoxyethoxy)propane-1,2-diol
CID 21136336
3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propane-1,2-diol
CID 14909231
3-[3-(2,3-dihydroxypropoxy)-2-[[3-(2,3-dihydroxypropoxy)-2,2-bis(2,3-dihydroxypropoxymethyl)propoxy]methyl]-2-(2,3-dihydroxypropoxymethyl)propoxy]propane-1,2-diol
CID 137404860
3-[2-[2-[2-[3-[2-[2-[2-(2,3-dihydroxypropoxy)-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethoxy]-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethoxy]propane-1,2-diol
CID 169009146
3-(2-hydroxy-2-methylpropoxy)propane-1,2-diol
CID 174900161
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
2,2,3,4,4,4-hexafluorobutan-1-ol
CID 533990
3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol
CID 18991200
(2R)-4-[bis[(3R)-2,2,3,4,4,4-hexafluorobutoxy]methoxy]-1,1,1,2,3,3-hexafluorobutane
CID 99769513
3-[3-(2,3-dihydroxypropoxymethoxymethoxy)-2,2,3,3-tetrafluoropropoxy]propane-1,2-diol
CID 59434575
1-(2,2-difluoroethoxy)-3-(2,2-difluoro-2-hydroxyethoxy)propan-2-ol
CID 154623548

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,4,4,4-hexafluorobutoxy)propane-1,2-diol?
The IUPAC name of 3-(2,2,3,4,4,4-hexafluorobutoxy)propane-1,2-diol (CID 112758141) is 3-(2,2,3,4,4,4-hexafluorobutoxy)propane-1,2-diol.
What is the SMILES notation for 3-(2,2,3,4,4,4-hexafluorobutoxy)propane-1,2-diol?
The canonical SMILES for 3-(2,2,3,4,4,4-hexafluorobutoxy)propane-1,2-diol is OCC(O)COCC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 3-(2,2,3,4,4,4-hexafluorobutoxy)propane-1,2-diol?
The InChIKey is MYYFNAVWRGBFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O3/c8-5(7(11,12)13)6(9,10)3-16-2-4(15)1-14/h4-5,14-15H,1-3H2.
What are the key properties of 3-(2,2,3,4,4,4-hexafluorobutoxy)propane-1,2-diol?
3-(2,2,3,4,4,4-hexafluorobutoxy)propane-1,2-diol has a molecular weight of 256.14 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,4,4,4-hexafluorobutoxy)propane-1,2-diol is sourced from PubChem (CID 112758141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).