2-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)cyclododecan-1-ol

HCID 36947

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Basic information

CAS: 34844-40-1
Standard SMILES: O[C@H]1CCCCCCCCCC[C@H]1C(O)(C(F)(F)F)C(F)(F)F
InChIKey: NTSJAHWLRPOMME-NEPJUHHUSA-N
Molecular formula: C15H24F6O2
Average molar mass: 350.34 g/mol
Monoisotopic mass: 350.16804898

Names & identifiers

Preferred name: 2-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)cyclododecan-1-ol
IUPAC: cis-(1S,2R)-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclododecan-1-ol

Names & synonyms

34844-40-1DTXSID509563212-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclododecan-1-olRefChem:1060595DTXCID101384288CYCLODODECANEMATHANOL, alpha,alpha-BIS(TRIFLUOROMETHYL)-2-HYDROXY-, (Z)-cis-Cyclododecanemethanol, 2-hydroxy-alpha,alpha-bis(trifluoromethyl)-(1S,2R)-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclododecan-1-ol

Database identifiers

CAS: 34844-40-1
PubChem CID: 36947
DTXSID: DTXSID50956321

Properties

Computed structural properties

XLogP: 6.5
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 1
Heavy atoms: 23
Formal charge: 0
Complexity: 339

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