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2-Chloro-2,6,6-trifluorocyclohexane-1,1-diol

HCID 54214432
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Basic information

Standard SMILES
OC1(O)C(F)(F)CCCC1(F)Cl
InChIKey
PYDXHLOPKYAIOF-UHFFFAOYSA-N
Molecular formula
C6H8ClF3O2
Average molar mass
204.57 g/mol
Monoisotopic mass
204.0164917

Names & identifiers

Preferred name
2-Chloro-2,6,6-trifluorocyclohexane-1,1-diol
IUPAC
2-chloro-2,6,6-trifluorocyclohexane-1,1-diol

Names & synonyms

PYDXHLOPKYAIOF-UHFFFAOYSA-N2-chloro-2,6,6-trifluorocyclohexane-1,1-diol

Database identifiers

PubChem CID
54214432

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
12
Formal charge
0
Complexity
197

Related reactions

1 records
New reaction record
HRID 319549 reaction equation
HRID 319549As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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