HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1alpha,3alpha(Z))-

HCID 6442897
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
68127-78-6
Standard SMILES
CC1(C)[C@H](/C=C(\Cl)C(F)(F)F)[C@@H]1C(=O)OCc1cccc(Oc2ccccc2)c1
InChIKey
RTRBHVOKZNZJDH-SOAHZXLXSA-N
Molecular formula
C22H20ClF3O3
Average molar mass
424.8 g/mol
Monoisotopic mass
424.1053067

Names & identifiers

Preferred name
Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1alpha,3alpha(Z))-
IUPAC
trans-(3-phenoxyphenyl)methyl (1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate

Names & synonyms

Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1alpha,3alpha(Z))-68127-78-6SCHEMBL10602484RTRBHVOKZNZJDH-SOAHZXLXSA-N

Database identifiers

CAS
68127-78-6
PubChem CID
6442897

Properties

Computed structural properties

XLogP
6.6
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
29
Formal charge
0
Complexity
611

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes