chempirical

1H,1H,12H,12H-Perfluoro-1,12-dodecanediol

C12H6F20O2CAS 183162-43-8562.15 g/mol

Open in Covalent MOL file
OHFFFFFFFFFFFFFFFFFFFFHO
AlcoholAlkyl halide

Properties

Molecular formula
C12H6F20O2
Molar mass
562.15 g/mol
Exact mass
562.0048 Da
logP
5.32Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
11

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
183162-43-8
SMILES
C(C(C(C(C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChIKey
MBKZIVRAOJBYDI-UHFFFAOYSA-N
InChI
InChI=1S/C12H6F20O2/c13-3(14,1-33)5(17,18)7(21,22)9(25,26)11(29,30)12(31,32)10(27,28)8(23,24)6(19,20)4(15,16)2-34/h33-34H,1-2H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1H,1H,12H,12H-Perfluoro-1,12-dodecanediol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2,3,3,4,4,5,5,6,6,7,7,8,8-Tetradecafluoro-1,9-nonanediol203303-01-9100 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1,10-decanediol754-96-1100 % similar 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-1,8-octanediol90177-96-1100 % similar 2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol355-74-894 % similar 2,2,3,3,4,4-Hexafluoro-1,5-pentanediol376-90-982 % similar 1H,1H-Perfluoro-1-tetradecanol15622-57-880 % similar 1H,1H-Perfluorooctanol307-30-280 % similar 1H,1H-Perfluoro-1-decanol307-37-980 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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