5-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]furan-2-carbaldehyde

C14H7F7O3 — CID 169334255

IUPAC5-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2F)o1
InChIInChI=1S/C14H7F7O3/c15-10-5-7(12(23,13(16,17)18)14(19,20)21)1-3-9(10)11-4-2-8(6-22)24-11/h1-6,23H
InChIKeyLACPCCRYFILYOQ-UHFFFAOYSA-N
MW356.19 g/mol
LogP4.21
Rot. Bonds3

About 5-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]furan-2-carbaldehyde

5-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]furan-2-carbaldehyde (PubChem CID 169334255) has the molecular formula C14H7F7O3 and a molecular weight of 356.19 g/mol. Its IUPAC name is 5-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]furan-2-carbaldehyde
PubChem CID169334255
Molecular FormulaC14H7F7O3
Molecular Weight356.19 g/mol
Exact Mass356.03
IUPAC Name5-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2F)o1
InChIInChI=1S/C14H7F7O3/c15-10-5-7(12(23,13(16,17)18)14(19,20)21)1-3-9(10)11-4-2-8(6-22)24-11/h1-6,23H
InChIKeyLACPCCRYFILYOQ-UHFFFAOYSA-N
XLogP4.21
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.19
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-fluoro-4-methylsulfonylphenyl)furan-2-carbaldehyde
CID 169332145
5-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3,4-difluorophenyl]furan-2-carbaldehyde
CID 169335848
5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 623670
5-[2-methylsulfanyl-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169336019
5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde
CID 169334405
5-(3-fluoro-4-pyridinyl)furan-2-carbaldehyde
CID 103840994
5-(2-fluoro-5-methylphenyl)furan-2-carbaldehyde
CID 43155826
5-(4-tert-butyl-2-nitrophenyl)furan-2-carbaldehyde
CID 169331711
5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde
CID 169333294
5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde
CID 169332004
5-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]furan-2-carbaldehyde
CID 169335837
5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde
CID 106886507

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]furan-2-carbaldehyde (CID 169334255) is 5-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2F)o1.
What is the InChIKey of 5-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]furan-2-carbaldehyde?
The InChIKey is LACPCCRYFILYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F7O3/c15-10-5-7(12(23,13(16,17)18)14(19,20)21)1-3-9(10)11-4-2-8(6-22)24-11/h1-6,23H.
What are the key properties of 5-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]furan-2-carbaldehyde?
5-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]furan-2-carbaldehyde has a molecular weight of 356.19 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169334255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).