5-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]furan-2-carbaldehyde

C18H8F5IO3 — CID 169335837

IUPAC5-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(I)ccc2Oc2c(F)cc(C(F)(F)F)cc2F)o1
InChIInChI=1S/C18H8F5IO3/c19-13-5-9(18(21,22)23)6-14(20)17(13)27-16-3-1-10(24)7-12(16)15-4-2-11(8-25)26-15/h1-8H
InChIKeyUUVYTPDBTWUYCZ-UHFFFAOYSA-N
MW494.15 g/mol
LogP6.45
Rot. Bonds4

About 5-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]furan-2-carbaldehyde

5-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]furan-2-carbaldehyde (PubChem CID 169335837) has the molecular formula C18H8F5IO3 and a molecular weight of 494.15 g/mol. Its IUPAC name is 5-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]furan-2-carbaldehyde
PubChem CID169335837
Molecular FormulaC18H8F5IO3
Molecular Weight494.15 g/mol
Exact Mass493.94
IUPAC Name5-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(I)ccc2Oc2c(F)cc(C(F)(F)F)cc2F)o1
InChIInChI=1S/C18H8F5IO3/c19-13-5-9(18(21,22)23)6-14(20)17(13)27-16-3-1-10(24)7-12(16)15-4-2-11(8-25)26-15/h1-8H
InChIKeyUUVYTPDBTWUYCZ-UHFFFAOYSA-N
XLogP6.45
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.15
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3,4-difluorophenyl]furan-2-carbaldehyde
CID 169335848
N-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]formamide
CID 168651528
N-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-iodophenyl]formamide
CID 168652057
5-[2-(difluoromethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169335505
5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde
CID 130499478
5-[2-(2,2-difluoroethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169334678
5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 623670
5-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]furan-2-carbaldehyde
CID 169334255
5-[2-methylsulfanyl-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169336019
5-[5-bromo-2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
CID 169336035
N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3-fluorophenyl]formamide
CID 168651705
2-cyano-N-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]acetamide
CID 168523988

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]furan-2-carbaldehyde (CID 169335837) is 5-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2cc(I)ccc2Oc2c(F)cc(C(F)(F)F)cc2F)o1.
What is the InChIKey of 5-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]furan-2-carbaldehyde?
The InChIKey is UUVYTPDBTWUYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8F5IO3/c19-13-5-9(18(21,22)23)6-14(20)17(13)27-16-3-1-10(24)7-12(16)15-4-2-11(8-25)26-15/h1-8H.
What are the key properties of 5-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]furan-2-carbaldehyde?
5-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]furan-2-carbaldehyde has a molecular weight of 494.15 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169335837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).