4OcHCaAtFcH
Basic information
- Standard SMILES
CCCCOC1CCC(C(=O)OC2CC(F)C(F)C(F)C2)CC1- InChIKey
OWFGEWLGJQZOSJ-UHFFFAOYSA-N- Molecular formula
- C17H27F3O3
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.19122921
Names & identifiers
- Preferred name
- 4OcHCaAtFcH
- IUPAC
- (3,4,5-trifluorocyclohexyl) 4-butoxycyclohexane-1-carboxylate
Names & synonyms
4OcHCaAtFcHDTXSID1013817273,4,5-trifluorocyclohexyl 4-butoxycyclohexanecarboxylate3,4,5-trifluorocyclohexyl 4-butoxycyclohexane-1-carboxylate
Database identifiers
- PubChem CID
- 21351024
- DTXSID
DTXSID101381727
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 360
Experimental & physicochemical properties
Chemical Classes
Liquid Crystal (LCM) Monomers
Fluorinated Liquid Crystal Monomers (LCM)
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Related reactions
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Compound notes
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