1,1,1,3,3,3-hexafluoro-2-[5-(3-hydroxypropyl)furan-2-yl]propan-2-ol

C10H10F6O3 — CID 609530

IUPAC1,1,1,3,3,3-hexafluoro-2-[5-(3-hydroxypropyl)furan-2-yl]propan-2-ol
SMILESOCCCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)o1
InChIInChI=1S/C10H10F6O3/c11-9(12,13)8(18,10(14,15)16)7-4-3-6(19-7)2-1-5-17/h3-4,17-18H,1-2,5H2
InChIKeyFETJVJVPTQEYGI-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.52
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-[5-(3-hydroxypropyl)furan-2-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[5-(3-hydroxypropyl)furan-2-yl]propan-2-ol (PubChem CID 609530) has the molecular formula C10H10F6O3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[5-(3-hydroxypropyl)furan-2-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[5-(3-hydroxypropyl)furan-2-yl]propan-2-ol
PubChem CID609530
Molecular FormulaC10H10F6O3
Molecular Weight292.18 g/mol
Exact Mass292.05
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[5-(3-hydroxypropyl)furan-2-yl]propan-2-ol
SMILESOCCCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)o1
InChIInChI=1S/C10H10F6O3/c11-9(12,13)8(18,10(14,15)16)7-4-3-6(19-7)2-1-5-17/h3-4,17-18H,1-2,5H2
InChIKeyFETJVJVPTQEYGI-UHFFFAOYSA-N
XLogP2.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[5-(3-hydroxypropyl)furan-2-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[5-(3-hydroxypropyl)furan-2-yl]propan-2-ol (CID 609530) is 1,1,1,3,3,3-hexafluoro-2-[5-(3-hydroxypropyl)furan-2-yl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[5-(3-hydroxypropyl)furan-2-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[5-(3-hydroxypropyl)furan-2-yl]propan-2-ol is OCCCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)o1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[5-(3-hydroxypropyl)furan-2-yl]propan-2-ol?
The InChIKey is FETJVJVPTQEYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6O3/c11-9(12,13)8(18,10(14,15)16)7-4-3-6(19-7)2-1-5-17/h3-4,17-18H,1-2,5H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[5-(3-hydroxypropyl)furan-2-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[5-(3-hydroxypropyl)furan-2-yl]propan-2-ol has a molecular weight of 292.18 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[5-(3-hydroxypropyl)furan-2-yl]propan-2-ol is sourced from PubChem (CID 609530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).