1,1,1,3,3,3-hexafluoro-2-(furan-2-yl)propan-2-ol

C7H4F6O2 — CID 565743

IUPAC1,1,1,3,3,3-hexafluoro-2-(furan-2-yl)propan-2-ol
SMILESOC(c1ccco1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H4F6O2/c8-6(9,10)5(14,7(11,12)13)4-2-1-3-15-4/h1-3,14H
InChIKeyHUOGJDDWHFWXBL-UHFFFAOYSA-N
MW234.10 g/mol
LogP2.59
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(furan-2-yl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(furan-2-yl)propan-2-ol (PubChem CID 565743) has the molecular formula C7H4F6O2 and a molecular weight of 234.10 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(furan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(furan-2-yl)propan-2-ol
PubChem CID565743
Molecular FormulaC7H4F6O2
Molecular Weight234.10 g/mol
Exact Mass234.01
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(furan-2-yl)propan-2-ol
SMILESOC(c1ccco1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H4F6O2/c8-6(9,10)5(14,7(11,12)13)4-2-1-3-15-4/h1-3,14H
InChIKeyHUOGJDDWHFWXBL-UHFFFAOYSA-N
XLogP2.59
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.10
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(furan-2-yl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(furan-2-yl)propan-2-ol (CID 565743) is 1,1,1,3,3,3-hexafluoro-2-(furan-2-yl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(furan-2-yl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(furan-2-yl)propan-2-ol is OC(c1ccco1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(furan-2-yl)propan-2-ol?
The InChIKey is HUOGJDDWHFWXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F6O2/c8-6(9,10)5(14,7(11,12)13)4-2-1-3-15-4/h1-3,14H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(furan-2-yl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(furan-2-yl)propan-2-ol has a molecular weight of 234.10 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(furan-2-yl)propan-2-ol is sourced from PubChem (CID 565743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).