2bcHtFMeOdFP

HCID 175686292

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Basic information

CAS: 145721-29-5
Standard SMILES: CCC1CCC(C2CCC(c3cc(F)c(OC(F)(F)F)c(F)c3)CC2)CC1
InChIKey: YPMNPRPNBNWTCZ-UHFFFAOYSA-N
Molecular formula: C21H27F5O
Average molar mass: 390.4 g/mol
Monoisotopic mass: 390.19820629

Names & identifiers

Preferred name: 2bcHtFMeOdFP
IUPAC: 5-[4-(4-ethylcyclohexyl)cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene

Names & synonyms

2bcHtFMeOdFPDTXSID1013801434-(3,5-difluoro-4-(trifluoromethoxy)phenyl)-4'-ethyl-1,1'-bi(cyclohexane)145721-29-55-[(trans,trans)-4a(2)-Ethyl[1,1a(2)-bicyclohexyl]-4-yl]-1,3-difluoro-2-(trifluoromethoxy)benzene

Database identifiers

CAS: 145721-29-5
PubChem CID: 175686292
DTXSID: DTXSID101380143

Properties

Computed structural properties

XLogP: 9.1
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 27
Formal charge: 0
Complexity: 440

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