3,3-Difluoro-2,2-dimethylindan-1-ol

HCID 59199331

Notes Reactions

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Basic information

CAS: 1034921-57-7
Standard SMILES: CC1(C)C(O)c2ccccc2C1(F)F
InChIKey: GIGHHVCUNKQLFR-UHFFFAOYSA-N
Molecular formula: C11H12F2O
Average molar mass: 198.21 g/mol
Monoisotopic mass: 198.08562133

Names & identifiers

Preferred name: 3,3-Difluoro-2,2-dimethylindan-1-ol
IUPAC: 3,3-difluoro-2,2-dimethyl-1H-inden-1-ol

Names & synonyms

3,3-Difluoro-2,2-dimethylindan-1-ol1034921-57-7SCHEMBL2820184DTXSID0012216553,3-difluoro-2,2-dimethyl-indan-1-ol3,3-Difluoro-2,2-dimethyl-2,3-dihydro-1H-inden-1-ol3,3-Difluoro-2,3-dihydro-2,2-dimethyl-1H-inden-1-ol

Database identifiers

CAS: 1034921-57-7
PubChem CID: 59199331
DTXSID: DTXSID001221655

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 237

Related reactions

4 records

New reaction record

HRID 1146387As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1218129As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2089502As productuspto-grants-2013_05

HRID 2089503As reactantuspto-grants-2013_05

Compound notes

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