2-Fluoroheptanoic acid

C₇H₁₃FO₂CAS 1578-58-1148.18 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₇H₁₃FO₂
Molar mass: 148.18 g/mol
Exact mass: 148.0900 Da
logP: 1.99Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 5

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1578-58-1

SMILES

CCCCCC(C(=O)O)F

InChIKey

SZKQQZKIGFBZHS-UHFFFAOYSA-N

InChI

InChI=1S/C7H13FO2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)

Weigh it out

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

Names and synonyms

4 names

Heptanoic acid, 2-fluoro-
2-Fluoroheptanoicacid
Fluoroheptanoic acid
2-Fluoro-heptanoic acid

Reactions

2-FLUOROHEPTANOIC ACID (Heptanoic acid, 2-fluoro-)product

Work with 2-Fluoroheptanoic acid

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-Hexyldecanoic acid25354-97-661 % similar 2-Hexadecylpropanedioic acid4371-64-661 % similar 2-Methylheptanoic acid1188-02-959 % similar 2-Hydroxyhexadecanoic acid10067-06-858 % similar 2-Aminoheptanoic acid1115-90-858 % similar 2-Hydroxytetradecanoic acid2507-55-358 % similar 2-Hydroxyoctanoic acid617-73-258 % similar 2-Hydroxyhexadecanoic acid764-67-058 % similar

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

Elsewhere

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