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1-(2-Fluoro-3-(4-fluoro-3-phenoxyphenyl)prop-1-enyl)-1-(2-fluoro-4-trifluoromethylphenyl)cyclopropane

HCID 19083351
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
FC(=CC1(c2ccc(C(F)(F)F)cc2F)CC1)Cc1ccc(F)c(Oc2ccccc2)c1
InChIKey
VBZUENJQUNCHHT-UHFFFAOYSA-N
Molecular formula
C25H18F6O
Average molar mass
448.4 g/mol
Monoisotopic mass
448.12618417

Names & identifiers

Preferred name
1-(2-Fluoro-3-(4-fluoro-3-phenoxyphenyl)prop-1-enyl)-1-(2-fluoro-4-trifluoromethylphenyl)cyclopropane
IUPAC
1-fluoro-4-[2-fluoro-3-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]prop-2-enyl]-2-phenoxybenzene

Names & synonyms

1-(2-fluoro-3-(4-fluoro-3-phenoxyphenyl)prop-1-enyl)-1-(2-fluoro-4-trifluoromethylphenyl)cyclopropaneSCHEMBL8532320

Database identifiers

PubChem CID
19083351

Properties

Computed structural propertiesFilling in

XLogP
7.9
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
32
Formal charge
0
Complexity
651

Related reactions

2 records
New reaction record
HRID 144511 reaction equation
HRID 144511As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 963836 reaction equation
HRID 963836As productuspto-grants-1998_06

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes