1,1,1,3,3,3-hexafluoro-2-[4-(furan-2-yl)phenyl]propan-2-ol

C13H8F6O2 — CID 168524391

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-(furan-2-yl)phenyl]propan-2-ol
SMILESOC(c1ccc(-c2ccco2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H8F6O2/c14-12(15,16)11(20,13(17,18)19)9-5-3-8(4-6-9)10-2-1-7-21-10/h1-7,20H
InChIKeyPDGCHLVKQBCLOJ-UHFFFAOYSA-N
MW310.19 g/mol
LogP4.26
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-[4-(furan-2-yl)phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-(furan-2-yl)phenyl]propan-2-ol (PubChem CID 168524391) has the molecular formula C13H8F6O2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-(furan-2-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-(furan-2-yl)phenyl]propan-2-ol
PubChem CID168524391
Molecular FormulaC13H8F6O2
Molecular Weight310.19 g/mol
Exact Mass310.04
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-(furan-2-yl)phenyl]propan-2-ol
SMILESOC(c1ccc(-c2ccco2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H8F6O2/c14-12(15,16)11(20,13(17,18)19)9-5-3-8(4-6-9)10-2-1-7-21-10/h1-7,20H
InChIKeyPDGCHLVKQBCLOJ-UHFFFAOYSA-N
XLogP4.26
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 631065
2,2,2-trifluoro-N-[4-(furan-2-yl)phenyl]acetamide
CID 168525338
2-[4-(3,5-difluorophenyl)phenyl]furan
CID 168525624
ethane;2-phenylfuran
CID 143157762
CID 87058750
CID 87058750
4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzaldehyde
CID 46173586
2-[4-(furan-2-yl)phenyl]ethanol
CID 168524630
4-(furan-2-yl)benzoyl chloride
CID 7537504
2-[4-(2-tert-butylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 175090687
[4-(furan-2-yl)phenyl]-phenylmethanone
CID 14657656
methyl N-[4-(furan-2-yl)phenyl]carbamate
CID 168528272
1,1,1,3,3,3-hexafluoro-2-[4-(4-morpholin-4-ylphenyl)phenyl]propan-2-ol
CID 46173579

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(furan-2-yl)phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(furan-2-yl)phenyl]propan-2-ol (CID 168524391) is 1,1,1,3,3,3-hexafluoro-2-[4-(furan-2-yl)phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-(furan-2-yl)phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-(furan-2-yl)phenyl]propan-2-ol is OC(c1ccc(-c2ccco2)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-(furan-2-yl)phenyl]propan-2-ol?
The InChIKey is PDGCHLVKQBCLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F6O2/c14-12(15,16)11(20,13(17,18)19)9-5-3-8(4-6-9)10-2-1-7-21-10/h1-7,20H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-(furan-2-yl)phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-(furan-2-yl)phenyl]propan-2-ol has a molecular weight of 310.19 g/mol, XLogP of 4.26, 2 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-[4-(furan-2-yl)phenyl]propan-2-ol is sourced from PubChem (CID 168524391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).