1,1,1-Trichloro-2-(3-trifluoromethylphenyl)ethane

HCID 13255802
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Basic information

CAS
30359-53-6
Standard SMILES
FC(F)(F)c1cccc(CC(Cl)(Cl)Cl)c1
InChIKey
OCPZGVKFOJIQBN-UHFFFAOYSA-N
Molecular formula
C9H6Cl3F3
Average molar mass
277.5 g/mol
Monoisotopic mass
275.94871789

Names & identifiers

Preferred name
1,1,1-Trichloro-2-(3-trifluoromethylphenyl)ethane
IUPAC
1-(2,2,2-trichloroethyl)-3-(trifluoromethyl)benzene

Names & synonyms

1,1,1-trichloro-2-(3-trifluoromethylphenyl)ethane1-(2,2,2-Trichloroethyl)-3-(trifluoromethyl)benzeneSCHEMBL10710178DTXSID50138750330359-53-6

Database identifiers

CAS
30359-53-6
PubChem CID
13255802
DTXSID
DTXSID501387503
Nikkaji
J1.615.620E

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
15

Related reactions

12 records
New reaction record

Compound notes

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