1H,1H-Perfluoro-1-tetradecanol

C₁₄H₃F₂₇OCAS 15622-57-8700.13 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₁₄H₃F₂₇O
Molar mass: 700.13 g/mol
Exact mass: 699.9753 Da
logP: 8.16Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 12

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H312+H332 Harmful in contact with skin or if inhaled100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H332 Harmful if inhaled100% of notifiers
H412 Harmful to aquatic life with long lasting effects100% of notifiers

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

Precautionary statements

P260, P261, P264, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number

15622-57-8

SMILES

C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O

InChIKey

WYCXYEWKMLSDBQ-UHFFFAOYSA-N

InChI

InChI=1S/C14H3F27O/c15-2(16,1-42)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)41/h42H,1H2

Weigh it out

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

Work with 1H,1H-Perfluoro-1-tetradecanol

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

1H,1H-Perfluorooctanol307-30-2100 % similar 1H,1H-Perfluoro-1-decanol307-37-9100 % similar 1H,1H-Perfluoroundecan-1-ol307-46-0100 % similar 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-heptanol375-82-6100 % 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. All similar compounds

Elsewhere

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