2,2,3,3,4,4-Hexafluoro-4-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxybutan-1-ol

C7H6F10O3 — CID 19023876

IUPAC2,2,3,3,4,4-hexafluoro-4-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxybutan-1-ol
SMILESC(C(C(F)(F)F)(OC(C(C(CO)(F)F)(F)F)(F)F)F)O
InChIInChI=1S/C7H6F10O3/c8-3(9,1-18)5(11,12)7(16,17)20-4(10,2-19)6(13,14)15/h18-19H,1-2H2
InChIKeyXURNIPGSKZPHGX-UHFFFAOYSA-N
MW328.10 g/mol
LogP2.30
Rot. Bonds6

About 2,2,3,3,4,4-Hexafluoro-4-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxybutan-1-ol

2,2,3,3,4,4-Hexafluoro-4-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxybutan-1-ol (PubChem CID 19023876) has the molecular formula C7H6F10O3 and a molecular weight of 328.10 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluoro-4-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxybutan-1-ol.

Molecular Properties

Compound Name2,2,3,3,4,4-Hexafluoro-4-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxybutan-1-ol
PubChem CID19023876
Molecular FormulaC7H6F10O3
Molecular Weight328.10 g/mol
Exact Mass328.02
IUPAC Name2,2,3,3,4,4-hexafluoro-4-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxybutan-1-ol
SMILESC(C(C(F)(F)F)(OC(C(C(CO)(F)F)(F)F)(F)F)F)O
InChIInChI=1S/C7H6F10O3/c8-3(9,1-18)5(11,12)7(16,17)20-4(10,2-19)6(13,14)15/h18-19H,1-2H2
InChIKeyXURNIPGSKZPHGX-UHFFFAOYSA-N
XLogP2.30
TPSA49.70 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms20
Complexity340

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.10
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4-Hexafluoro-4-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxybutan-1-ol with MolForge

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Related Compounds

1H,1H-2,5-Bis(trifluoromethyl)-3,6-dioxa-perfluorononanol
CID 2736150
2,3,3,3-Tetrafluoro-2-(heptafluoropropoxy)propan-1-ol
CID 2774936
3-(1H,1H-Heptafluorobutoxy)propane-1,2-diol
CID 86206067
2-(2,2,3,3,4,4,4-Heptafluorobutoxy)ethan-1-ol
CID 14963555
2-(2,2,3,4,4,4-Hexafluorobutoxy)ethanol
CID 50913475
3,3,4-Trifluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)butane-1,2-diol
CID 10947417
3,3,4-Trifluoro-4-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]butane-1,2-diol
CID 15472349
3,3,4-Trifluoro-4-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane-1,2-diol
CID 15472350
(3R,4S)-2,2,5,5-tetrafluorooxolane-3,4-diol
CID 12663936
(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-1-ol
CID 97291110
(2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propan-1-ol
CID 97292015
2-[2,3,3,3-Tetrafluoro-2-(heptafluoropropoxy)propoxy]ethan-1-ol
CID 14149930

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-Hexafluoro-4-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxybutan-1-ol?
The IUPAC name of 2,2,3,3,4,4-Hexafluoro-4-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxybutan-1-ol (CID 19023876) is 2,2,3,3,4,4-hexafluoro-4-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxybutan-1-ol.
What is the SMILES notation for 2,2,3,3,4,4-Hexafluoro-4-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxybutan-1-ol?
The canonical SMILES for 2,2,3,3,4,4-Hexafluoro-4-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxybutan-1-ol is C(C(C(F)(F)F)(OC(C(C(CO)(F)F)(F)F)(F)F)F)O.
What is the InChIKey of 2,2,3,3,4,4-Hexafluoro-4-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxybutan-1-ol?
The InChIKey is XURNIPGSKZPHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F10O3/c8-3(9,1-18)5(11,12)7(16,17)20-4(10,2-19)6(13,14)15/h18-19H,1-2H2.
What are the key properties of 2,2,3,3,4,4-Hexafluoro-4-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxybutan-1-ol?
2,2,3,3,4,4-Hexafluoro-4-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxybutan-1-ol has a molecular weight of 328.10 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-Hexafluoro-4-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxybutan-1-ol is sourced from PubChem (CID 19023876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).