2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-heptanol
Properties
- Molecular formula
- C7H3F13O
- Molar mass
- 350.08 g/mol
- Exact mass
- 349.9976 Da
- Boiling point
- 146–147 °C
- logP
- 3.72Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 5
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation75% of notifiers
Aggregated from 4 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
375-82-6SMILES
OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)FInChIKey
STLNAVFVCIRZLL-UHFFFAOYSA-NInChI
InChI=1S/C7H3F13O/c8-2(9,1-21)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h21H,1H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 1-Heptanol, 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-
- 1H,1H-Perfluoroheptanol
- α,α-Dihydroperfluoroheptanol
- 1,1-Dihydroperfluoroheptanol
- Perfluorohexylmethanol
- 1H,1H-Perfluoro-1-heptanol
- 1H,1H-Tridecafluoroheptanol
- 1H,1H-Tridecafluoro-1-heptanol
- 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptan-1-ol
Work with 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-heptanol
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1H,1H-Perfluoro-1-tetradecanol15622-57-8100 % similar
1H,1H-Perfluorooctanol307-30-2100 % similar
1H,1H-Perfluoro-1-decanol307-37-9100 % similar
1H,1H-Perfluoroundecan-1-ol307-46-0100 % similar
1H,1H-Perfluoro-1-nonanol423-56-3100 % similar
1H,1H-Perfluoro-1-dodecanol423-65-4100 % similar
2,2,3,3,4,4,4-Heptafluorobutanol375-01-981 % similar
1H,1H,12H,12H-Perfluoro-1,12-dodecanediol183162-43-880 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.