1,1,1,3,3,3-hexafluoro-2-(5-methylfuran-2-yl)propan-2-ol

C8H6F6O2 — CID 573264

IUPAC1,1,1,3,3,3-hexafluoro-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)o1
InChIInChI=1S/C8H6F6O2/c1-4-2-3-5(16-4)6(15,7(9,10)11)8(12,13)14/h2-3,15H,1H3
InChIKeyMCEIQWGOLOGGER-UHFFFAOYSA-N
MW248.12 g/mol
LogP2.90
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(5-methylfuran-2-yl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(5-methylfuran-2-yl)propan-2-ol (PubChem CID 573264) has the molecular formula C8H6F6O2 and a molecular weight of 248.12 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(5-methylfuran-2-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(5-methylfuran-2-yl)propan-2-ol
PubChem CID573264
Molecular FormulaC8H6F6O2
Molecular Weight248.12 g/mol
Exact Mass248.03
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)o1
InChIInChI=1S/C8H6F6O2/c1-4-2-3-5(16-4)6(15,7(9,10)11)8(12,13)14/h2-3,15H,1H3
InChIKeyMCEIQWGOLOGGER-UHFFFAOYSA-N
XLogP2.90
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1,3,3,3-hexafluoro-2-(5-methylfuran-2-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(Trifluoromethyl)furan-2-carboxylic acid
CID 2777521
2,2,2-Trifluoro-1-(furan-2-yl)ethan-1-ol
CID 2760709
5-tert-butylfuran-2-carboxylic Acid
CID 4519050
5-(1-Methylethyl)-2-furancarboxylic acid
CID 12207633
1,1,1,3,3,3-Hexafluoro-2-{[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-yl]methoxy}propan-2-ol
CID 2828261
{5-[3,5-Bis(trifluoromethyl)phenyl]furan-2-yl}methanol
CID 728188
2-(Furan-2-yl)pent-4-en-2-ol
CID 11469170
4,4,4-Trifluoro-1-(furan-2-yl)-3-(trifluoromethyl)butane-1,3-diol
CID 58140
4-(Furan-2-yl)hepta-1,6-dien-4-ol
CID 11206108
5-(Difluoromethyl)furan-2-carboxylic acid
CID 18507426
Methyl 3,3,3-trifluoro-2-hydroxy-2-(5-methylfuran-2-yl)propanoate
CID 3666296
[5-(Trifluoromethyl)-2-furyl]methanol
CID 7537667

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(5-methylfuran-2-yl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(5-methylfuran-2-yl)propan-2-ol (CID 573264) is 1,1,1,3,3,3-hexafluoro-2-(5-methylfuran-2-yl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(5-methylfuran-2-yl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(5-methylfuran-2-yl)propan-2-ol is Cc1ccc(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-methylfuran-2-yl)propan-2-ol?
The InChIKey is MCEIQWGOLOGGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6O2/c1-4-2-3-5(16-4)6(15,7(9,10)11)8(12,13)14/h2-3,15H,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(5-methylfuran-2-yl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(5-methylfuran-2-yl)propan-2-ol has a molecular weight of 248.12 g/mol, XLogP of 2.90, 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-(5-methylfuran-2-yl)propan-2-ol is sourced from PubChem (CID 573264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).