1,1,1,2,2-Pentafluoro-3-methoxypropane

C₄H₅F₅OCAS 378-16-5164.08 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₄H₅F₅O
Molar mass: 164.08 g/mol
Exact mass: 164.0261 Da
logP: 1.83Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number

378-16-5

SMILES

COCC(C(F)(F)F)(F)F

InChIKey

ZYAMKYAPIQPWQR-UHFFFAOYSA-N

InChI

InChI=1S/C4H5F5O/c1-10-2-3(5,6)4(7,8)9/h2H2,1H3

Weigh it out

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

Names and synonyms

1 names

2,2,3,3,3-Pentafluoropropyl methyl ether

Work with 1,1,1,2,2-Pentafluoro-3-methoxypropane

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

2,2,2-Trifluoroethyl methyl ether460-43-552 % similar Perfluoroethyl 2H-perfluoroethyl ether50807-74-439 % similar 1,1,1,2,2-Pentafluoro-3-iodopropane354-69-839 % similar 2,2,3,3,3-Pentafluoropropylamine422-03-739 % similar 2,2,3,3,3-Pentafluoropropanol422-05-939 % similar 2,2,3,3,3-Pentafluoropropyl methacrylate45115-53-536 % similar 1,1,1,2,2-Pentafluoro-4-iodobutane40723-80-636 % similar 2,2,3,3,3-Pentafluoropropyl 2-propenoate356-86-534 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,3,4,4,4-Pentafluoro-2-butanol374-40-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook