1,1,2,2,3,3,4,4-octafluorobutane-1,4-diol;dihydrofluoride

C4H4F10O2 — CID 135382270

IUPAC1,1,2,2,3,3,4,4-octafluorobutane-1,4-diol;dihydrofluoride
SMILESF.F.OC(F)(F)C(F)(F)C(F)(F)C(O)(F)F
InChIInChI=1S/C4H2F8O2.2FH/c5-1(6,3(9,10)13)2(7,8)4(11,12)14;;/h13-14H;2*1H
InChIKeyHLJAQTAUISTBDG-UHFFFAOYSA-N
MW274.05 g/mol
LogP1.73
Rot. Bonds3

About 1,1,2,2,3,3,4,4-octafluorobutane-1,4-diol;dihydrofluoride

1,1,2,2,3,3,4,4-octafluorobutane-1,4-diol;dihydrofluoride (PubChem CID 135382270) has the molecular formula C4H4F10O2 and a molecular weight of 274.05 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluorobutane-1,4-diol;dihydrofluoride.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluorobutane-1,4-diol;dihydrofluoride
PubChem CID135382270
Molecular FormulaC4H4F10O2
Molecular Weight274.05 g/mol
Exact Mass274.01
IUPAC Name1,1,2,2,3,3,4,4-octafluorobutane-1,4-diol;dihydrofluoride
SMILESF.F.OC(F)(F)C(F)(F)C(F)(F)C(O)(F)F
InChIInChI=1S/C4H2F8O2.2FH/c5-1(6,3(9,10)13)2(7,8)4(11,12)14;;/h13-14H;2*1H
InChIKeyHLJAQTAUISTBDG-UHFFFAOYSA-N
XLogP1.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.05
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 175157048
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-hexacosafluorotridecan-1-ol
CID 118339748
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16-hentriacontafluorohexadecane-1,16-diol
CID 22025717
1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-7-(trifluoromethylamino)heptan-1-ol
CID 87846440
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,13,13,13-pentacosafluorotridec-11-en-1-ol
CID 155293270
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,18,18,18-tritriacontafluorooctadecan-1-ol
CID 88632833
1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol
CID 91384893
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononan-1-ol
CID 87670862
4-chloro-1,1,2,2,3,3-hexafluorobutan-1-ol
CID 142726898
1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10-hexadecafluorodecane-1,10-diol
CID 87439552
1,1,2,2,3,3,4,4-octafluoro-6-isocyanatohexan-1-ol
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CID 87619955

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluorobutane-1,4-diol;dihydrofluoride?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluorobutane-1,4-diol;dihydrofluoride (CID 135382270) is 1,1,2,2,3,3,4,4-octafluorobutane-1,4-diol;dihydrofluoride.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluorobutane-1,4-diol;dihydrofluoride?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluorobutane-1,4-diol;dihydrofluoride is F.F.OC(F)(F)C(F)(F)C(F)(F)C(O)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluorobutane-1,4-diol;dihydrofluoride?
The InChIKey is HLJAQTAUISTBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F8O2.2FH/c5-1(6,3(9,10)13)2(7,8)4(11,12)14;;/h13-14H;2*1H.
What are the key properties of 1,1,2,2,3,3,4,4-octafluorobutane-1,4-diol;dihydrofluoride?
1,1,2,2,3,3,4,4-octafluorobutane-1,4-diol;dihydrofluoride has a molecular weight of 274.05 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluorobutane-1,4-diol;dihydrofluoride is sourced from PubChem (CID 135382270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).