Basic information
- CAS
1439902-85-8- Standard SMILES
O=C(O)C1(Cc2cccc(C(F)(F)F)c2)CCC1- InChIKey
HKFJHJJRYWEQFL-UHFFFAOYSA-N- Molecular formula
- C13H13F3O2
- Average molar mass
- 258.24 g/mol
- Monoisotopic mass
- 258.08676414
Names & identifiers
- Preferred name
- 1-[3-(Trifluoromethyl)phenyl]methyl-cyclobutane-1-carboxylic acid
- IUPAC
- 1-[[3-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxylic acid
- English name
- 1-[3-(Trifluoromethyl)phenyl]methylcyclobutane-1-carboxylic acid
- Molecular formula
- C13H13F3O2
- Molecular weight
- 258.24
Names & synonyms
1439902-85-81-[3-(Trifluoromethyl)phenyl]methyl-cyclobutane-1-carboxylic acid1-(3-(Trifluoromethyl)benzyl)cyclobutanecarboxylic acidMFCD214909081-[[3-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxylic acid1-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}CYCLOBUTANE-1-CARBOXYLIC ACID1-([3-(Trifluoromethyl)phenyl]methyl)cyclobutane-1-carboxylic acidAKOS014529113KS-7910F0969801-(3-(Trifluoromethyl)benzyl)cyclobutanecarboxylicacid1-[[3-(trifluoromethyl)phenyl]methyl]cyclobutanecarboxylic acid
Show more names
Cyclobutanecarboxylic acid, 1-[[3-(trifluoromethyl)phenyl]methyl]-1-[3-(Trifluoromethyl)phenyl]methylcyclobutane-1-carboxylic acid
1-[3-(Trifluoromethyl)phenyl]methyl cyclobutane-1-carboxylic acid
Database identifiers
- CAS
1439902-85-8- PubChem CID
- 65195019
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Boiling point
- 326.1 · 326.1±37.0 °C(Predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- pka
- 4 · 4+-.0.20(Predicted)
Chemistry & industry
Suppliers2 total
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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