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Basic information
- CAS
1255041-93-0- Standard SMILES
Nc1ccc(C#CC2CC2)c(F)c1- InChIKey
JOOFAMKOXYFSNS-UHFFFAOYSA-N- Molecular formula
- C11H10FN
- Average molar mass
- 175.2 g/mol
- Monoisotopic mass
- 175.07972749
Names & identifiers
- Preferred name
- 4-(Cyclopropylethynyl)-3-fluoroaniline
- IUPAC
- 4-(2-cyclopropylethynyl)-3-fluoroaniline
Names & synonyms
4-(cyclopropylethynyl)-3-fluoroaniline1255041-93-0SCHEMBL287497JOOFAMKOXYFSNS-UHFFFAOYSA-NDTXSID501255300DB-2184844-(2-Cyclopropylethynyl)-3-fluorobenzenamine
Database identifiers
- CAS
1255041-93-0- PubChem CID
- 59637307
- DTXSID
DTXSID501255300
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 245
Related reactions
4 records
Compound notes
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