chempirical

3-Fluorobenzophenone

C13H9FOCAS 345-69-7200.21 g/mol

Open in Covalent MOL file
OF
Aryl halideKetone

Properties

Molecular formula
C13H9FO
Molar mass
200.21 g/mol
Exact mass
200.0637 Da
logP
3.06Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 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
345-69-7
SMILES
C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)F
InChIKey
NCIYZALOQBXNLW-UHFFFAOYSA-N
InChI
InChI=1S/C13H9FO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H

Weigh it out

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

Work with 3-Fluorobenzophenone

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

1,3-Dibenzoylbenzene3770-82-972 % similar (2-Fluorophenyl)(3-fluorophenyl)methanone58139-11-068 % similar (2,4-Difluorophenyl)phenylmethanone85068-35-563 % similar 1,3,5-Tribenzoylbenzene25871-69-662 % similar (3,4-Difluorophenyl)phenylmethanone85118-07-661 % similar (2,5-Difluorophenyl)phenylmethanone85068-36-661 % similar 1,4-Dibenzoylbenzene3016-97-560 % similar (2,6-Difluorophenyl)phenylmethanone59189-51-455 % similar

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

Same formula

3-(4-Fluorophenyl)benzaldehyde164334-74-1 2-(4-Fluorophenyl)benzaldehyde192863-46-0 2′-Fluoro[1,1′-biphenyl]-2-carboxaldehyde223575-95-9 2-Fluorobenzophenone342-24-5 4-Fluorobenzophenone345-83-5 3-(3-Fluorophenyl)benzaldehyde400750-09-6 3'-Fluoro-[1,1'-biphenyl]-4-carbaldehyde400750-63-2 2'-Fluorobiphenyl-4-carbaldehyde57592-42-4

Elsewhere

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