Basic information
- CAS
107392-35-8- Standard SMILES
CCCc1cnc(-c2ccc(F)c(F)c2)nc1- InChIKey
QTVOTIBHDWOQJP-UHFFFAOYSA-N- Molecular formula
- C13H12F2N2
- Average molar mass
- 234.24 g/mol
- Monoisotopic mass
- 234.09685472
Names & identifiers
- Preferred name
- 2-(3,4-Difluorophenyl)-5-propylpyrimidine
- IUPAC
- 2-(3,4-difluorophenyl)-5-propylpyrimidine
Names & synonyms
2-(3,4-Difluorophenyl)-5-propylpyrimidine107392-35-8DTXSID20346078RefChem:251179DTXCID60297151Pyrimidine, 2-(3,4-difluorophenyl)-5-propyl-3PymdFPSCHEMBL75193522-(3,4-Difluorophenyl)-5-propylpyrimidine #
Database identifiers
- CAS
107392-35-8- PubChem CID
- 609455
- DTXSID
DTXSID20346078- Nikkaji
- J1.632.485J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 229
Experimental & physicochemical properties
Chemical Classes
Liquid Crystal (LCM) Monomers
Fluorinated Liquid Crystal Monomers (LCM)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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